2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide

C14H11ClN2O4S3 — CID 50839912

IUPAC2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide
SMILESCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2s1
InChIInChI=1S/C14H11ClN2O4S3/c1-23(18,19)14-16-11-7-6-9(8-12(11)22-14)17-24(20,21)13-5-3-2-4-10(13)15/h2-8,17H,1H3
InChIKeyLTPAWAQQPLYQCQ-UHFFFAOYSA-N
MW402.91 g/mol
LogP3.15
Rot. Bonds4

About 2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide

2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide (PubChem CID 50839912) has the molecular formula C14H11ClN2O4S3 and a molecular weight of 402.91 g/mol. Its IUPAC name is 2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide
PubChem CID50839912
Molecular FormulaC14H11ClN2O4S3
Molecular Weight402.91 g/mol
Exact Mass401.96
IUPAC Name2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide
SMILESCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2s1
InChIInChI=1S/C14H11ClN2O4S3/c1-23(18,19)14-16-11-7-6-9(8-12(11)22-14)17-24(20,21)13-5-3-2-4-10(13)15/h2-8,17H,1H3
InChIKeyLTPAWAQQPLYQCQ-UHFFFAOYSA-N
XLogP3.15
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide 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-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 50839978
N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)-2-phenylethanesulfonamide
CID 50839837
2-chloro-N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 46392689
N-[6-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325528
2-chloro-N-quinolin-6-ylbenzenesulfonamide
CID 25040814
N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide
CID 28970981
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 2118309
3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 6918870
N-(1,3-benzoxazol-6-yl)-2-chlorobenzenesulfonamide
CID 110728981
N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzenesulfonamide
CID 8603504
N-(2-ethylsulfonyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide
CID 50839999
N-[5-[(2-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 46379313

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide (CID 50839912) is 2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide is CS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2s1.
What is the InChIKey of 2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The InChIKey is LTPAWAQQPLYQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4S3/c1-23(18,19)14-16-11-7-6-9(8-12(11)22-14)17-24(20,21)13-5-3-2-4-10(13)15/h2-8,17H,1H3.
What are the key properties of 2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide has a molecular weight of 402.91 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 50839912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).