2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C13H14ClN3O3S2 — CID 2093865

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H14ClN3O3S2/c1-9-7-15-13(21-9)16-12(18)8-17(2)22(19,20)11-5-3-10(14)4-6-11/h3-7H,8H2,1-2H3,(H,15,16,18)
InChIKeyHSFGUGRHASQDRX-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.36
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2093865) has the molecular formula C13H14ClN3O3S2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID2093865
Molecular FormulaC13H14ClN3O3S2
Molecular Weight359.86 g/mol
Exact Mass359.02
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H14ClN3O3S2/c1-9-7-15-13(21-9)16-12(18)8-17(2)22(19,20)11-5-3-10(14)4-6-11/h3-7H,8H2,1-2H3,(H,15,16,18)
InChIKeyHSFGUGRHASQDRX-UHFFFAOYSA-N
XLogP2.36
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 1538492
2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2522154
3-(4-chlorobenzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide
CID 7254312
N~2~-[(4-chlorophenyl)sulfonyl]-N~1~-(4,5-dimethyl-1,3-thiazol-2-yl)-N~2~-methylglycinamide
CID 1300253
4-[(4-Chloro-benzenesulfonyl)-methyl-amino]-N-thiazol-2-yl-butyramide
CID 2054430
2-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2193996
1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 3000044
1-[(4-chlorophenyl)sulfonyl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 8919434
Benzenesulfonamide, 4-chloro-N-(5-(2-(dimethylamino)ethyl)-2-thiazolyl)-, monohydrochloride
CID 3055036
2-((4-chlorophenyl)sulfonyl)-N-(thiazol-2-yl)acetamide
CID 7254249
4-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 35523763
2-(4-chlorophenylsulfonyl)-2-methyl-N-(5-methylthiazol-2-yl)propanamide
CID 44569590

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 2093865) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is HSFGUGRHASQDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S2/c1-9-7-15-13(21-9)16-12(18)8-17(2)22(19,20)11-5-3-10(14)4-6-11/h3-7H,8H2,1-2H3,(H,15,16,18).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 359.86 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2093865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).