N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide

C15H17NO3S — CID 107232038

IUPACN-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccc(CO)cc2)c1
InChIInChI=1S/C15H17NO3S/c1-12-3-2-4-15(9-12)20(18,19)16-10-13-5-7-14(11-17)8-6-13/h2-9,16-17H,10-11H2,1H3
InChIKeyRDMGNDGHDSWTMY-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.97
Rot. Bonds5

About N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide

N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide (PubChem CID 107232038) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide
PubChem CID107232038
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccc(CO)cc2)c1
InChIInChI=1S/C15H17NO3S/c1-12-3-2-4-15(9-12)20(18,19)16-10-13-5-7-14(11-17)8-6-13/h2-9,16-17H,10-11H2,1H3
InChIKeyRDMGNDGHDSWTMY-UHFFFAOYSA-N
XLogP1.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide
CID 4994624
N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107234034
N-[[4-(2-aminoethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 62502158
N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3714590
3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232055
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide
CID 105357704
3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232758
3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897411
N-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide
CID 3680647
N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 63311640
3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738003
3-methyl-N-(2-oxopropyl)benzenesulfonamide
CID 64994475

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide (CID 107232038) is N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2ccc(CO)cc2)c1.
What is the InChIKey of N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide?
The InChIKey is RDMGNDGHDSWTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-12-3-2-4-15(9-12)20(18,19)16-10-13-5-7-14(11-17)8-6-13/h2-9,16-17H,10-11H2,1H3.
What are the key properties of N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide?
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 107232038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).