N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide

C11H7ClN2O2S3 — CID 893880

IUPACN-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2s1)c1ccc(Cl)s1
InChIInChI=1S/C11H7ClN2O2S3/c12-9-5-6-10(18-9)19(15,16)14-11-13-7-3-1-2-4-8(7)17-11/h1-6H,(H,13,14)
InChIKeyROKZYXRZNANQRQ-UHFFFAOYSA-N
MW330.84 g/mol
LogP3.81
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide

N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide (PubChem CID 893880) has the molecular formula C11H7ClN2O2S3 and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
PubChem CID893880
Molecular FormulaC11H7ClN2O2S3
Molecular Weight330.84 g/mol
Exact Mass329.94
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2s1)c1ccc(Cl)s1
InChIInChI=1S/C11H7ClN2O2S3/c12-9-5-6-10(18-9)19(15,16)14-11-13-7-3-1-2-4-8(7)17-11/h1-6H,(H,13,14)
InChIKeyROKZYXRZNANQRQ-UHFFFAOYSA-N
XLogP3.81
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 167944643
N-(6-bromo-1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
CID 16934156
N-(1,3-benzothiazol-2-yl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 43455882
N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide
CID 19683407
N-(1,3-benzothiazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide
CID 61300831
N-(1,3-benzothiazol-2-yl)ethanesulfonamide
CID 1228177
N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 17257540
N-(1,3-benzothiazol-2-yl)-5-bromo-2-methylbenzenesulfonamide
CID 60661212
2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide
CID 60986077
5-chloro-N-[3-(2-chloroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444236
5-chloro-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 19683573
N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640584

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide (CID 893880) is N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide is O=S(=O)(Nc1nc2ccccc2s1)c1ccc(Cl)s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide?
The InChIKey is ROKZYXRZNANQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2S3/c12-9-5-6-10(18-9)19(15,16)14-11-13-7-3-1-2-4-8(7)17-11/h1-6H,(H,13,14).
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide?
N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide has a molecular weight of 330.84 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 893880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).