N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide

C17H13ClN2O5S3 — CID 22772945

IUPACN-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)c1ccccc1
InChIInChI=1S/C17H13ClN2O5S3/c18-15-10-11-16(26-15)28(24,25)19-13-6-8-14(9-7-13)27(22,23)20-17(21)12-4-2-1-3-5-12/h1-11,19H,(H,20,21)
InChIKeyDPWFOTTVAYSHPV-UHFFFAOYSA-N
MW456.95 g/mol
LogP3.32
Rot. Bonds6

About N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide

N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide (PubChem CID 22772945) has the molecular formula C17H13ClN2O5S3 and a molecular weight of 456.95 g/mol. Its IUPAC name is N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide
PubChem CID22772945
Molecular FormulaC17H13ClN2O5S3
Molecular Weight456.95 g/mol
Exact Mass455.97
IUPAC NameN-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)c1ccccc1
InChIInChI=1S/C17H13ClN2O5S3/c18-15-10-11-16(26-15)28(24,25)19-13-6-8-14(9-7-13)27(22,23)20-17(21)12-4-2-1-3-5-12/h1-11,19H,(H,20,21)
InChIKeyDPWFOTTVAYSHPV-UHFFFAOYSA-N
XLogP3.32
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.95
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231
5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide
CID 166200870
5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986155
4-(benzenesulfonamido)-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 32831454
5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide
CID 112983289
5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22202764
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-3H-benzimidazol-5-yl]benzamide
CID 10113684
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 2353026
N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772942
N-[4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 7040890
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide?
The IUPAC name of N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide (CID 22772945) is N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide.
What is the SMILES notation for N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide?
The canonical SMILES for N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide is O=C(NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide?
The InChIKey is DPWFOTTVAYSHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O5S3/c18-15-10-11-16(26-15)28(24,25)19-13-6-8-14(9-7-13)27(22,23)20-17(21)12-4-2-1-3-5-12/h1-11,19H,(H,20,21).
What are the key properties of N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide?
N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide has a molecular weight of 456.95 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide is sourced from PubChem (CID 22772945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).