(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide

C17H16ClN3O3S2 — CID 9319554

IUPAC(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
SMILESCc1nc2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3cccc(Cl)c3)cc2s1
InChIInChI=1S/C17H16ClN3O3S2/c1-10(21-26(23,24)14-5-3-4-12(18)8-14)17(22)20-13-6-7-15-16(9-13)25-11(2)19-15/h3-10,21H,1-2H3,(H,20,22)/t10-/m0/s1
InChIKeyGKDQQJLLMGPXRB-JTQLQIEISA-N
MW409.92 g/mol
LogP3.56
Rot. Bonds5

About (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide

(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (PubChem CID 9319554) has the molecular formula C17H16ClN3O3S2 and a molecular weight of 409.92 g/mol. Its IUPAC name is (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
PubChem CID9319554
Molecular FormulaC17H16ClN3O3S2
Molecular Weight409.92 g/mol
Exact Mass409.03
IUPAC Name(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
SMILESCc1nc2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3cccc(Cl)c3)cc2s1
InChIInChI=1S/C17H16ClN3O3S2/c1-10(21-26(23,24)14-5-3-4-12(18)8-14)17(22)20-13-6-7-15-16(9-13)25-11(2)19-15/h3-10,21H,1-2H3,(H,20,22)/t10-/m0/s1
InChIKeyGKDQQJLLMGPXRB-JTQLQIEISA-N
XLogP3.56
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide 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

(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9042158
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 47300462
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325489
(2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide
CID 32736753
2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 43091108
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-chlorophenyl)sulfonylamino]propanamide
CID 42890350
N-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890225
2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 9473411
(2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 24576018
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide
CID 7741991

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (CID 9319554) is (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is Cc1nc2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3cccc(Cl)c3)cc2s1.
What is the InChIKey of (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is GKDQQJLLMGPXRB-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16ClN3O3S2/c1-10(21-26(23,24)14-5-3-4-12(18)8-14)17(22)20-13-6-7-15-16(9-13)25-11(2)19-15/h3-10,21H,1-2H3,(H,20,22)/t10-/m0/s1.
What are the key properties of (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 409.92 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 9319554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).