N-[3-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide

C14H12N2O3S3 — CID 77106135

IUPACN-[3-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
SMILESCc1sc(=O)[nH]c1-c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C14H12N2O3S3/c1-9-13(15-14(17)21-9)10-4-2-5-11(8-10)16-22(18,19)12-6-3-7-20-12/h2-8,16H,1H3,(H,15,17)
InChIKeySEEUCLNNZKIKJF-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.27
Rot. Bonds4

About N-[3-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide

N-[3-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 77106135) has the molecular formula C14H12N2O3S3 and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[3-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
PubChem CID77106135
Molecular FormulaC14H12N2O3S3
Molecular Weight352.46 g/mol
Exact Mass352.00
IUPAC NameN-[3-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
SMILESCc1sc(=O)[nH]c1-c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C14H12N2O3S3/c1-9-13(15-14(17)21-9)10-4-2-5-11(8-10)16-22(18,19)12-6-3-7-20-12/h2-8,16H,1H3,(H,15,17)
InChIKeySEEUCLNNZKIKJF-UHFFFAOYSA-N
XLogP3.27
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide
CID 59243189
N-[3-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 7553601
N-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide
CID 110604781
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
N-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide
CID 155557473
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
N-(3-nitrophenyl)thiophene-2-sulfonamide
CID 768865
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492108
N-[3-(6-propoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 7524020
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-sulfonamide
CID 122283303
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
N-(3-piperazin-1-ylphenyl)thiophene-2-sulfonamide
CID 102430110

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide (CID 77106135) is N-[3-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide is Cc1sc(=O)[nH]c1-c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is SEEUCLNNZKIKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S3/c1-9-13(15-14(17)21-9)10-4-2-5-11(8-10)16-22(18,19)12-6-3-7-20-12/h2-8,16H,1H3,(H,15,17).
What are the key properties of N-[3-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide?
N-[3-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 352.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 77106135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).