2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide

C14H12ClN3O3S2 — CID 87247056

IUPAC2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ncc(C#N)s1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O3S2/c1-14(2,12(19)18-13-17-8-10(7-16)22-13)23(20,21)11-5-3-9(15)4-6-11/h3-6,8H,1-2H3,(H,17,18,19)
InChIKeyZHBNXXMKPZCKBC-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.86
Rot. Bonds4

About 2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide

2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide (PubChem CID 87247056) has the molecular formula C14H12ClN3O3S2 and a molecular weight of 369.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide
PubChem CID87247056
Molecular FormulaC14H12ClN3O3S2
Molecular Weight369.86 g/mol
Exact Mass369.00
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ncc(C#N)s1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O3S2/c1-14(2,12(19)18-13-17-8-10(7-16)22-13)23(20,21)11-5-3-9(15)4-6-11/h3-6,8H,1-2H3,(H,17,18,19)
InChIKeyZHBNXXMKPZCKBC-UHFFFAOYSA-N
XLogP2.86
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide
CID 58198475
(2S)-2-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-3,3-dimethylbutanamide
CID 46226290
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
CID 59662703
1-tert-butyl-3-(5-cyano-1,3-thiazol-2-yl)urea
CID 90603690
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 173121487
N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide
CID 87602439
2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide
CID 166432032
N-(4-tert-butyl-1,3-oxazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
CID 58198711
2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4-phenyl-2-pyridinyl)propanamide
CID 70662079
2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 44569507
2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 58198626
3-(4-chlorophenyl)sulfonyl-3-methylbutan-2-one
CID 115048708

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide (CID 87247056) is 2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide is CC(C)(C(=O)Nc1ncc(C#N)s1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide?
The InChIKey is ZHBNXXMKPZCKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S2/c1-14(2,12(19)18-13-17-8-10(7-16)22-13)23(20,21)11-5-3-9(15)4-6-11/h3-6,8H,1-2H3,(H,17,18,19).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide?
2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide has a molecular weight of 369.86 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-(5-cyano-1,3-thiazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 87247056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).