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

C9H8ClN3O4S3 — CID 43427451

IUPAC2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cccc(NS(=O)(=O)c2cnc(Cl)s2)c1
InChIInChI=1S/C9H8ClN3O4S3/c10-9-12-5-8(18-9)20(16,17)13-6-2-1-3-7(4-6)19(11,14)15/h1-5,13H,(H2,11,14,15)
InChIKeyFNXGJCQOMGGNCH-UHFFFAOYSA-N
MW353.83 g/mol
LogP1.24
Rot. Bonds4

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

2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide (PubChem CID 43427451) has the molecular formula C9H8ClN3O4S3 and a molecular weight of 353.83 g/mol. Its IUPAC name is 2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide
PubChem CID43427451
Molecular FormulaC9H8ClN3O4S3
Molecular Weight353.83 g/mol
Exact Mass352.94
IUPAC Name2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cccc(NS(=O)(=O)c2cnc(Cl)s2)c1
InChIInChI=1S/C9H8ClN3O4S3/c10-9-12-5-8(18-9)20(16,17)13-6-2-1-3-7(4-6)19(11,14)15/h1-5,13H,(H2,11,14,15)
InChIKeyFNXGJCQOMGGNCH-UHFFFAOYSA-N
XLogP1.24
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate
CID 61042286
5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
CID 5097147
N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 43427435
5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
CID 79912739
2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide
CID 107573403
2-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 61229017
2-chloro-N-(2-chlorophenyl)-1,3-thiazole-5-sulfonamide
CID 43427443
5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide
CID 60808929
3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide
CID 81264911
2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455933
2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 116699344
2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide
CID 114259497

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide (CID 43427451) is 2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cccc(NS(=O)(=O)c2cnc(Cl)s2)c1.
What is the InChIKey of 2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is FNXGJCQOMGGNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O4S3/c10-9-12-5-8(18-9)20(16,17)13-6-2-1-3-7(4-6)19(11,14)15/h1-5,13H,(H2,11,14,15).
What are the key properties of 2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 353.83 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43427451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).