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

C10H6ClN3O2S3 — CID 43455882

IUPACN-(1,3-benzothiazol-2-yl)-2-chloro-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2s1)c1cnc(Cl)s1
InChIInChI=1S/C10H6ClN3O2S3/c11-9-12-5-8(18-9)19(15,16)14-10-13-6-3-1-2-4-7(6)17-10/h1-5H,(H,13,14)
InChIKeyATOGVDHQKONZKZ-UHFFFAOYSA-N
MW331.83 g/mol
LogP3.21
Rot. Bonds3

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

N-(1,3-benzothiazol-2-yl)-2-chloro-1,3-thiazole-5-sulfonamide (PubChem CID 43455882) has the molecular formula C10H6ClN3O2S3 and a molecular weight of 331.83 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-chloro-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-chloro-1,3-thiazole-5-sulfonamide
PubChem CID43455882
Molecular FormulaC10H6ClN3O2S3
Molecular Weight331.83 g/mol
Exact Mass330.93
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-chloro-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2s1)c1cnc(Cl)s1
InChIInChI=1S/C10H6ClN3O2S3/c11-9-12-5-8(18-9)19(15,16)14-10-13-6-3-1-2-4-7(6)17-10/h1-5H,(H,13,14)
InChIKeyATOGVDHQKONZKZ-UHFFFAOYSA-N
XLogP3.21
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
CID 893880
N-(1,3-benzothiazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide
CID 61300831
2-chloro-N-(2-chlorophenyl)-1,3-thiazole-5-sulfonamide
CID 43427443
N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide
CID 19683407
N-(1,3-benzothiazol-2-yl)ethanesulfonamide
CID 1228177
2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455810
N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 17257540
N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 43427435
N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640584
2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 43455781
2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide
CID 107573403
2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid
CID 28774217

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-chloro-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-chloro-1,3-thiazole-5-sulfonamide (CID 43455882) is N-(1,3-benzothiazol-2-yl)-2-chloro-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-chloro-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-chloro-1,3-thiazole-5-sulfonamide is O=S(=O)(Nc1nc2ccccc2s1)c1cnc(Cl)s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-chloro-1,3-thiazole-5-sulfonamide?
The InChIKey is ATOGVDHQKONZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O2S3/c11-9-12-5-8(18-9)19(15,16)14-10-13-6-3-1-2-4-7(6)17-10/h1-5H,(H,13,14).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-chloro-1,3-thiazole-5-sulfonamide?
N-(1,3-benzothiazol-2-yl)-2-chloro-1,3-thiazole-5-sulfonamide has a molecular weight of 331.83 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-chloro-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).