4-(4-methylbenzoyl)thiophene-2-sulfonamide

C12H11NO3S2 — CID 14639068

IUPAC4-(4-methylbenzoyl)thiophene-2-sulfonamide
SMILESCc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C12H11NO3S2/c1-8-2-4-9(5-3-8)12(14)10-6-11(17-7-10)18(13,15)16/h2-7H,1H3,(H2,13,15,16)
InChIKeyGYTMHWVFKHLDEA-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.93
Rot. Bonds3

About 4-(4-methylbenzoyl)thiophene-2-sulfonamide

4-(4-methylbenzoyl)thiophene-2-sulfonamide (PubChem CID 14639068) has the molecular formula C12H11NO3S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(4-methylbenzoyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(4-methylbenzoyl)thiophene-2-sulfonamide
PubChem CID14639068
Molecular FormulaC12H11NO3S2
Molecular Weight281.36 g/mol
Exact Mass281.02
IUPAC Name4-(4-methylbenzoyl)thiophene-2-sulfonamide
SMILESCc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C12H11NO3S2/c1-8-2-4-9(5-3-8)12(14)10-6-11(17-7-10)18(13,15)16/h2-7H,1H3,(H2,13,15,16)
InChIKeyGYTMHWVFKHLDEA-UHFFFAOYSA-N
XLogP1.93
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Phenylthiophen-2-yl)ethan-1-one
CID 4962481
2-(Phenylsulfonyl)-1-p-tolylethanone
CID 15627039
2-Benzoylthiophene
CID 67262
2-Phenyl-1-(2-thienyl)ethanone
CID 687090
2-(Phenylsulfonyl)-1-(thiophen-3-yl)ethanone
CID 44437618
2-Propen-1-one, 1-phenyl-3-(thienyl)-
CID 269618
3-Thiophen-2-yl-3-(toluene-4-sulfonyl)-1-p-tolyl-propan-1-one
CID 3135161
6-Acetylbenzo[b]thiophene-2-sulfonamide
CID 13922881
2-Propen-1-one, 1-phenyl-3-(2-thienyl)-
CID 5376088
1-[4-(Thiophen-2-yl)phenyl]ethan-1-one
CID 4052210
(5-Methylthiophen-2-yl)(phenyl)methanone
CID 13356052
3-(Benzenesulfonyl)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one
CID 2883936

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylbenzoyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(4-methylbenzoyl)thiophene-2-sulfonamide (CID 14639068) is 4-(4-methylbenzoyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(4-methylbenzoyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(4-methylbenzoyl)thiophene-2-sulfonamide is Cc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 4-(4-methylbenzoyl)thiophene-2-sulfonamide?
The InChIKey is GYTMHWVFKHLDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S2/c1-8-2-4-9(5-3-8)12(14)10-6-11(17-7-10)18(13,15)16/h2-7H,1H3,(H2,13,15,16).
What are the key properties of 4-(4-methylbenzoyl)thiophene-2-sulfonamide?
4-(4-methylbenzoyl)thiophene-2-sulfonamide has a molecular weight of 281.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylbenzoyl)thiophene-2-sulfonamide is sourced from PubChem (CID 14639068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).