N-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide

C13H13NO3S2 — CID 79802964

IUPACN-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide
SMILESCc1cscc1C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H13NO3S2/c1-9-7-18-8-12(9)13(15)10-3-5-11(6-4-10)14-19(2,16)17/h3-8,14H,1-2H3
InChIKeyNJZNQSNCSCEDDD-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.66
Rot. Bonds4

About N-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide

N-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide (PubChem CID 79802964) has the molecular formula C13H13NO3S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide
PubChem CID79802964
Molecular FormulaC13H13NO3S2
Molecular Weight295.39 g/mol
Exact Mass295.03
IUPAC NameN-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide
SMILESCc1cscc1C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H13NO3S2/c1-9-7-18-8-12(9)13(15)10-3-5-11(6-4-10)14-19(2,16)17/h3-8,14H,1-2H3
InChIKeyNJZNQSNCSCEDDD-UHFFFAOYSA-N
XLogP2.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide
CID 43629655
(4-bromophenyl)-(4-methylthiophen-3-yl)methanone
CID 79803148
N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide
CID 43339036
(4-benzylphenyl)-(4-methylthiophen-3-yl)methanone
CID 79812478
N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide
CID 79212173
N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide
CID 43161143
N-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide
CID 21486683
N-[4-(2-acetylhydrazinyl)phenyl]methanesulfonamide
CID 23454955
N-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide
CID 82779073
N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
CID 68660252
1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875225
N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 1249872

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide (CID 79802964) is N-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide is Cc1cscc1C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide?
The InChIKey is NJZNQSNCSCEDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S2/c1-9-7-18-8-12(9)13(15)10-3-5-11(6-4-10)14-19(2,16)17/h3-8,14H,1-2H3.
What are the key properties of N-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide?
N-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide has a molecular weight of 295.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 79802964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).