4-chloro-N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)benzenesulfonamide

C16H13ClN2O2S2 — CID 11280004

IUPAC4-chloro-N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(Cl)cc2)c(-c2ccccc2)s1
InChIInChI=1S/C16H13ClN2O2S2/c1-11-18-16(15(22-11)12-5-3-2-4-6-12)19-23(20,21)14-9-7-13(17)8-10-14/h2-10,19H,1H3
InChIKeyJBMOMZGENPJCJV-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.57
Rot. Bonds4

About 4-chloro-N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)benzenesulfonamide

4-chloro-N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 11280004) has the molecular formula C16H13ClN2O2S2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 4-chloro-N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID11280004
Molecular FormulaC16H13ClN2O2S2
Molecular Weight364.88 g/mol
Exact Mass364.01
IUPAC Name4-chloro-N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(Cl)cc2)c(-c2ccccc2)s1
InChIInChI=1S/C16H13ClN2O2S2/c1-11-18-16(15(22-11)12-5-3-2-4-6-12)19-23(20,21)14-9-7-13(17)8-10-14/h2-10,19H,1H3
InChIKeyJBMOMZGENPJCJV-UHFFFAOYSA-N
XLogP4.57
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 749784
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide
CID 19735447
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
ethyl 2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 121041079
4-chloro-N-(7-chloro-5-methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)benzenesulfonamide
CID 122392304
N-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide
CID 67645870
4-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 54909900
4-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103886271
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chlorobenzenesulfonamide
CID 1255601
4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 25040610

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)benzenesulfonamide (CID 11280004) is 4-chloro-N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2)c(-c2ccccc2)s1.
What is the InChIKey of 4-chloro-N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is JBMOMZGENPJCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S2/c1-11-18-16(15(22-11)12-5-3-2-4-6-12)19-23(20,21)14-9-7-13(17)8-10-14/h2-10,19H,1H3.
What are the key properties of 4-chloro-N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)benzenesulfonamide?
4-chloro-N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 364.88 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 11280004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).