N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide

C24H18ClN3O3S2 — CID 3651034

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C24H18ClN3O3S2/c25-19-9-5-16(6-10-19)21-15-32-24(26-21)27-23(29)18-7-11-20(12-8-18)33(30,31)28-14-13-17-3-1-2-4-22(17)28/h1-12,15H,13-14H2,(H,26,27,29)
InChIKeyPXYJHGFNKCDBBV-UHFFFAOYSA-N
MW496.01 g/mol
LogP5.47
Rot. Bonds5

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide (PubChem CID 3651034) has the molecular formula C24H18ClN3O3S2 and a molecular weight of 496.01 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
PubChem CID3651034
Molecular FormulaC24H18ClN3O3S2
Molecular Weight496.01 g/mol
Exact Mass495.05
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C24H18ClN3O3S2/c25-19-9-5-16(6-10-19)21-15-32-24(26-21)27-23(29)18-7-11-20(12-8-18)33(30,31)28-14-13-17-3-1-2-4-22(17)28/h1-12,15H,13-14H2,(H,26,27,29)
InChIKeyPXYJHGFNKCDBBV-UHFFFAOYSA-N
XLogP5.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.01
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4064780
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 2447288
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2501912
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CID 4161296
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4067307
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 1450373
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 3466044
N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide
CID 1383828
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
CID 1010301
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(4-ethylcyclohepta-1,3,6-trien-1-yl)-1,3-thiazol-2-yl]benzamide
CID 142892829
4-(benzenesulfonamido)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 121043565

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide (CID 3651034) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide is O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The InChIKey is PXYJHGFNKCDBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O3S2/c25-19-9-5-16(6-10-19)21-15-32-24(26-21)27-23(29)18-7-11-20(12-8-18)33(30,31)28-14-13-17-3-1-2-4-22(17)28/h1-12,15H,13-14H2,(H,26,27,29).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide has a molecular weight of 496.01 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide is sourced from PubChem (CID 3651034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).