N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide

C15H15NO3S2 — CID 79212173

IUPACN-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide
SMILESCSc1ccc(C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H15NO3S2/c1-20-14-9-5-12(6-10-14)15(17)11-3-7-13(8-4-11)16-21(2,18)19/h3-10,16H,1-2H3
InChIKeyNHQBFSLDFCKUMC-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.01
Rot. Bonds5

About N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide

N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide (PubChem CID 79212173) has the molecular formula C15H15NO3S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide
PubChem CID79212173
Molecular FormulaC15H15NO3S2
Molecular Weight321.42 g/mol
Exact Mass321.05
IUPAC NameN-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide
SMILESCSc1ccc(C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H15NO3S2/c1-20-14-9-5-12(6-10-14)15(17)11-3-7-13(8-4-11)16-21(2,18)19/h3-10,16H,1-2H3
InChIKeyNHQBFSLDFCKUMC-UHFFFAOYSA-N
XLogP3.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide
CID 21486683
N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide
CID 43339036
N-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide
CID 82779073
N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide
CID 43161143
N-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide
CID 79802964
N-[4-[2-(3,4-difluorophenyl)sulfanylpropanoyl]phenyl]methanesulfonamide
CID 18199605
6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872781
(3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone
CID 2758307
N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide
CID 43629655
1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875225
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide
CID 78791501
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide (CID 79212173) is N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide is CSc1ccc(C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide?
The InChIKey is NHQBFSLDFCKUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S2/c1-20-14-9-5-12(6-10-14)15(17)11-3-7-13(8-4-11)16-21(2,18)19/h3-10,16H,1-2H3.
What are the key properties of N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide?
N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide has a molecular weight of 321.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide is sourced from PubChem (CID 79212173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).