N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide

C14H15NO4S2 — CID 23452751

IUPACN-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H15NO4S2/c1-12-7-9-13(10-8-12)20(16,17)11-15-21(18,19)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3
InChIKeyFKHVDNFEYUAYRC-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.70
Rot. Bonds5

About N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide

N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide (PubChem CID 23452751) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide
PubChem CID23452751
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC NameN-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H15NO4S2/c1-12-7-9-13(10-8-12)20(16,17)11-15-21(18,19)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3
InChIKeyFKHVDNFEYUAYRC-UHFFFAOYSA-N
XLogP1.70
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzenesulfonylmethyl)benzenesulfonamide
CID 23452744
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
N-[[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]methyl]-4-methylbenzenesulfonamide
CID 102500654
N-[(4-methylphenyl)sulfonylmethyl]hydroxylamine
CID 71371695
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777
4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide
CID 24951292
N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide
CID 137357878
N-(2-chloro-2-phenylethyl)-4-methylbenzenesulfonamide
CID 11220593
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659
4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide
CID 86197769

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide?
The IUPAC name of N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide (CID 23452751) is N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide.
What is the SMILES notation for N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide?
The canonical SMILES for N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)CNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide?
The InChIKey is FKHVDNFEYUAYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-12-7-9-13(10-8-12)20(16,17)11-15-21(18,19)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3.
What are the key properties of N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide?
N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide has a molecular weight of 325.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide is sourced from PubChem (CID 23452751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).