4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide

C12H12ClN3O3S2 — CID 60749460

IUPAC4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NS(=O)(=O)c2cnc(Cl)s2)cc1
InChIInChI=1S/C12H12ClN3O3S2/c1-16(2)11(17)8-3-5-9(6-4-8)15-21(18,19)10-7-14-12(13)20-10/h3-7,15H,1-2H3
InChIKeyWBQFUUDIKBUCKM-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.30
Rot. Bonds4

About 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide

4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide (PubChem CID 60749460) has the molecular formula C12H12ClN3O3S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide
PubChem CID60749460
Molecular FormulaC12H12ClN3O3S2
Molecular Weight345.83 g/mol
Exact Mass345.00
IUPAC Name4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NS(=O)(=O)c2cnc(Cl)s2)cc1
InChIInChI=1S/C12H12ClN3O3S2/c1-16(2)11(17)8-3-5-9(6-4-8)15-21(18,19)10-7-14-12(13)20-10/h3-7,15H,1-2H3
InChIKeyWBQFUUDIKBUCKM-UHFFFAOYSA-N
XLogP2.30
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate
CID 60749436
N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 43427435
2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide
CID 61051625
N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 61051227
4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24650939
4-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580843
2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide
CID 61047553
methyl N-[3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]carbamate
CID 61042286
2-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 61229017
4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
CID 24580861
N,N-dimethyl-4-(sulfamoylamino)benzamide
CID 112573421

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide (CID 60749460) is 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NS(=O)(=O)c2cnc(Cl)s2)cc1.
What is the InChIKey of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is WBQFUUDIKBUCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S2/c1-16(2)11(17)8-3-5-9(6-4-8)15-21(18,19)10-7-14-12(13)20-10/h3-7,15H,1-2H3.
What are the key properties of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide?
4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 345.83 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 60749460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).