4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide

C19H23NO3S — CID 101180255

IUPAC4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)C2CCCCO2)cc1
InChIInChI=1S/C19H23NO3S/c1-15-10-12-17(13-11-15)24(21,22)20-19(16-7-3-2-4-8-16)18-9-5-6-14-23-18/h2-4,7-8,10-13,18-20H,5-6,9,14H2,1H3
InChIKeyCGJKVMWEYAMBDI-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.58
Rot. Bonds5

About 4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide

4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide (PubChem CID 101180255) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide
PubChem CID101180255
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)C2CCCCO2)cc1
InChIInChI=1S/C19H23NO3S/c1-15-10-12-17(13-11-15)24(21,22)20-19(16-7-3-2-4-8-16)18-9-5-6-14-23-18/h2-4,7-8,10-13,18-20H,5-6,9,14H2,1H3
InChIKeyCGJKVMWEYAMBDI-UHFFFAOYSA-N
XLogP3.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-(oxan-2-yl)-1-phenylmethanamine
CID 62213165
dimethyl 2-[[4-[[(4-methylphenyl)sulfonylamino]-(oxolan-2-yl)methyl]phenyl]methylidene]propanedioate
CID 25179532
N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide
CID 11393771
methyl 2-[(4-methylphenyl)sulfonylamino]-2-[(2S)-oxolan-2-yl]acetate
CID 101460059
N-[(R)-[(1S)-2,2-dimethyl-6-oxocyclohexyl]-phenylmethyl]-4-methylbenzenesulfonamide
CID 102309490
4-methyl-N-[(R)-[(1S,2S)-2-(4-methylphenyl)sulfanyl-6-oxocyclohexyl]-phenylmethyl]benzenesulfonamide
CID 101054816
N-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide
CID 134941304
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]pyridine-3-sulfonamide
CID 97313525
4-methyl-N-[(1S)-1-[(2S)-oxiran-2-yl]ethyl]benzenesulfonamide
CID 10060253
4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 6465192
(2S)-2-[(1S)-1-phenylethyl]oxolane
CID 118374007
N-[(1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethyl]-4-methylbenzenesulfonamide
CID 11360845

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide (CID 101180255) is 4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(c2ccccc2)C2CCCCO2)cc1.
What is the InChIKey of 4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide?
The InChIKey is CGJKVMWEYAMBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-15-10-12-17(13-11-15)24(21,22)20-19(16-7-3-2-4-8-16)18-9-5-6-14-23-18/h2-4,7-8,10-13,18-20H,5-6,9,14H2,1H3.
What are the key properties of 4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide?
4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide has a molecular weight of 345.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 101180255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).