N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide

C12H9ClN2O2S3 — CID 16934141

IUPACN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
SMILESCc1cc(Cl)cc2sc(NS(=O)(=O)c3cccs3)nc12
InChIInChI=1S/C12H9ClN2O2S3/c1-7-5-8(13)6-9-11(7)14-12(19-9)15-20(16,17)10-3-2-4-18-10/h2-6H,1H3,(H,14,15)
InChIKeyPLMKORTVESNHRR-UHFFFAOYSA-N
MW344.87 g/mol
LogP4.12
Rot. Bonds3

About N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 16934141) has the molecular formula C12H9ClN2O2S3 and a molecular weight of 344.87 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
PubChem CID16934141
Molecular FormulaC12H9ClN2O2S3
Molecular Weight344.87 g/mol
Exact Mass343.95
IUPAC NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
SMILESCc1cc(Cl)cc2sc(NS(=O)(=O)c3cccs3)nc12
InChIInChI=1S/C12H9ClN2O2S3/c1-7-5-8(13)6-9-11(7)14-12(19-9)15-20(16,17)10-3-2-4-18-10/h2-6H,1H3,(H,14,15)
InChIKeyPLMKORTVESNHRR-UHFFFAOYSA-N
XLogP4.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 16934138
N-(4,5-dichloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 16934134
1-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-3-(3-chlorophenyl)urea
CID 46382575
3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 121041666
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-2-thiophen-2-ylacetamide
CID 20930996
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide
CID 7254759
6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 82549477
N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 57379871
5-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 3438297
1-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)methanesulfonamide
CID 55244865
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 8603530

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide (CID 16934141) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide is Cc1cc(Cl)cc2sc(NS(=O)(=O)c3cccs3)nc12.
What is the InChIKey of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is PLMKORTVESNHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2S3/c1-7-5-8(13)6-9-11(7)14-12(19-9)15-20(16,17)10-3-2-4-18-10/h2-6H,1H3,(H,14,15).
What are the key properties of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 344.87 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 16934141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).