1-[3-chloro-4-(2,5-dioxo-1H-1-benzazepin-4-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-hydroxy-3-oxoindol-1-ium-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-1H-cinnolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-oxoindol-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea

C98H60Cl10N15O22S10+ — CID 158001822

IUPAC1-[3-chloro-4-(2,5-dioxo-1H-1-benzazepin-4-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-hydroxy-3-oxoindol-1-ium-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-1H-cinnolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-oxoindol-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
SMILESO=C(Nc1ccc(-c2cc(=O)[nH]c3ccccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-c2n[nH]c3ccccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(C2=Cc3ccccc3C2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(C2=Nc3ccccc3C2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(C2=[N+](O)c3ccccc3C2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C21H13Cl2N3O5S2.C20H12Cl2N2O4S2.C19H12Cl2N4O4S2.C19H11Cl2N3O5S2.C19H11Cl2N3O4S2/c22-15-9-11(24-21(29)26-33(30,31)19-8-7-17(23)32-19)5-6-12(15)14-10-18(27)25-16-4-2-1-3-13(16)20(14)28;21-16-10-12(23-20(26)24-30(27,28)18-8-7-17(22)29-18)5-6-14(16)15-9-11-3-1-2-4-13(11)19(15)25;20-13-9-10(22-19(27)25-31(28,29)16-8-7-15(21)30-16)5-6-11(13)17-18(26)12-3-1-2-4-14(12)23-24-17;20-13-9-10(22-19(26)23-31(28,29)16-8-7-15(21)30-16)5-6-11(13)17-18(25)12-3-1-2-4-14(12)24(17)27;20-13-9-10(22-19(26)24-30(27,28)16-8-7-15(21)29-16)5-6-11(13)17-18(25)12-3-1-2-4-14(12)23-17/h1-10H,(H,25,27)(H2,24,26,29);1-10H,(H2,23,24,26);1-9H,(H,23,26)(H2,22,25,27);1-9,27H,(H,23,26);1-9H,(H2,22,24,26)/p+1
InChIKeyZPCSFHFRDSFIGP-UHFFFAOYSA-O
MW2474.84 g/mol
LogP23.37
Rot. Bonds20

About 1-[3-chloro-4-(2,5-dioxo-1H-1-benzazepin-4-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-hydroxy-3-oxoindol-1-ium-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-1H-cinnolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-oxoindol-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea

1-[3-chloro-4-(2,5-dioxo-1H-1-benzazepin-4-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-hydroxy-3-oxoindol-1-ium-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-1H-cinnolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-oxoindol-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea (PubChem CID 158001822) has the molecular formula C98H60Cl10N15O22S10+ and a molecular weight of 2474.84 g/mol. Its IUPAC name is 1-[3-chloro-4-(2,5-dioxo-1H-1-benzazepin-4-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-hydroxy-3-oxoindol-1-ium-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-1H-cinnolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-oxoindol-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea.

Molecular Properties

Compound Name1-[3-chloro-4-(2,5-dioxo-1H-1-benzazepin-4-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-hydroxy-3-oxoindol-1-ium-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-1H-cinnolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-oxoindol-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
PubChem CID158001822
Molecular FormulaC98H60Cl10N15O22S10+
Molecular Weight2474.84 g/mol
Exact Mass2467.81
IUPAC Name1-[3-chloro-4-(2,5-dioxo-1H-1-benzazepin-4-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-hydroxy-3-oxoindol-1-ium-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-1H-cinnolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-oxoindol-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
SMILESO=C(Nc1ccc(-c2cc(=O)[nH]c3ccccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-c2n[nH]c3ccccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(C2=Cc3ccccc3C2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(C2=Nc3ccccc3C2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(C2=[N+](O)c3ccccc3C2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C21H13Cl2N3O5S2.C20H12Cl2N2O4S2.C19H12Cl2N4O4S2.C19H11Cl2N3O5S2.C19H11Cl2N3O4S2/c22-15-9-11(24-21(29)26-33(30,31)19-8-7-17(23)32-19)5-6-12(15)14-10-18(27)25-16-4-2-1-3-13(16)20(14)28;21-16-10-12(23-20(26)24-30(27,28)18-8-7-17(22)29-18)5-6-14(16)15-9-11-3-1-2-4-13(11)19(15)25;20-13-9-10(22-19(27)25-31(28,29)16-8-7-15(21)30-16)5-6-11(13)17-18(26)12-3-1-2-4-14(12)23-24-17;20-13-9-10(22-19(26)23-31(28,29)16-8-7-15(21)30-16)5-6-11(13)17-18(25)12-3-1-2-4-14(12)24(17)27;20-13-9-10(22-19(26)24-30(27,28)16-8-7-15(21)29-16)5-6-11(13)17-18(25)12-3-1-2-4-14(12)23-17/h1-10H,(H,25,27)(H2,24,26,29);1-10H,(H2,23,24,26);1-9H,(H,23,26)(H2,22,25,27);1-9,27H,(H,23,26);1-9H,(H2,22,24,26)/p+1
InChIKeyZPCSFHFRDSFIGP-UHFFFAOYSA-O
XLogP23.37
TPSA558.84 Ų
H-Bond Donors13
H-Bond Acceptors29
Rotatable Bonds20
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002474.84
LogP ≤ 523.37
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-[3-chloro-4-(2,5-dioxo-1H-1-benzazepin-4-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-hydroxy-3-oxoindol-1-ium-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-1H-cinnolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-oxoindol-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2,5-dioxo-1H-1-benzazepin-4-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-hydroxy-3-oxoindol-1-ium-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-1H-cinnolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-oxoindol-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?
The IUPAC name of 1-[3-chloro-4-(2,5-dioxo-1H-1-benzazepin-4-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-hydroxy-3-oxoindol-1-ium-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-1H-cinnolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-oxoindol-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea (CID 158001822) is 1-[3-chloro-4-(2,5-dioxo-1H-1-benzazepin-4-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-hydroxy-3-oxoindol-1-ium-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-1H-cinnolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-oxoindol-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea.
What is the SMILES notation for 1-[3-chloro-4-(2,5-dioxo-1H-1-benzazepin-4-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-hydroxy-3-oxoindol-1-ium-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-1H-cinnolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-oxoindol-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?
The canonical SMILES for 1-[3-chloro-4-(2,5-dioxo-1H-1-benzazepin-4-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-hydroxy-3-oxoindol-1-ium-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-1H-cinnolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-oxoindol-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea is O=C(Nc1ccc(-c2cc(=O)[nH]c3ccccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-c2n[nH]c3ccccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(C2=Cc3ccccc3C2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(C2=Nc3ccccc3C2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(C2=[N+](O)c3ccccc3C2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-[3-chloro-4-(2,5-dioxo-1H-1-benzazepin-4-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-hydroxy-3-oxoindol-1-ium-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-1H-cinnolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-oxoindol-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?
The InChIKey is ZPCSFHFRDSFIGP-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H13Cl2N3O5S2.C20H12Cl2N2O4S2.C19H12Cl2N4O4S2.C19H11Cl2N3O5S2.C19H11Cl2N3O4S2/c22-15-9-11(24-21(29)26-33(30,31)19-8-7-17(23)32-19)5-6-12(15)14-10-18(27)25-16-4-2-1-3-13(16)20(14)28;21-16-10-12(23-20(26)24-30(27,28)18-8-7-17(22)29-18)5-6-14(16)15-9-11-3-1-2-4-13(11)19(15)25;20-13-9-10(22-19(27)25-31(28,29)16-8-7-15(21)30-16)5-6-11(13)17-18(26)12-3-1-2-4-14(12)23-24-17;20-13-9-10(22-19(26)23-31(28,29)16-8-7-15(21)30-16)5-6-11(13)17-18(25)12-3-1-2-4-14(12)24(17)27;20-13-9-10(22-19(26)24-30(27,28)16-8-7-15(21)29-16)5-6-11(13)17-18(25)12-3-1-2-4-14(12)23-17/h1-10H,(H,25,27)(H2,24,26,29);1-10H,(H2,23,24,26);1-9H,(H,23,26)(H2,22,25,27);1-9,27H,(H,23,26);1-9H,(H2,22,24,26)/p+1.
What are the key properties of 1-[3-chloro-4-(2,5-dioxo-1H-1-benzazepin-4-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-hydroxy-3-oxoindol-1-ium-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-1H-cinnolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-oxoindol-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?
1-[3-chloro-4-(2,5-dioxo-1H-1-benzazepin-4-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-hydroxy-3-oxoindol-1-ium-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-1H-cinnolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-oxoindol-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea has a molecular weight of 2474.84 g/mol, XLogP of 23.37, 20 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2,5-dioxo-1H-1-benzazepin-4-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-hydroxy-3-oxoindol-1-ium-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-1H-cinnolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-oxoindol-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea is sourced from PubChem (CID 158001822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).