N-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide

C20H19NO3S — CID 4587533

IUPACN-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(O)c2ccccc2)cc1
InChIInChI=1S/C20H19NO3S/c1-15-11-13-17(14-12-15)25(23,24)21-19-10-6-5-9-18(19)20(22)16-7-3-2-4-8-16/h2-14,20-22H,1H3
InChIKeyUXRSBYYQHJSRHW-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.88
Rot. Bonds5

About N-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide

N-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 4587533) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID4587533
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(O)c2ccccc2)cc1
InChIInChI=1S/C20H19NO3S/c1-15-11-13-17(14-12-15)25(23,24)21-19-10-6-5-9-18(19)20(22)16-7-3-2-4-8-16/h2-14,20-22H,1H3
InChIKeyUXRSBYYQHJSRHW-UHFFFAOYSA-N
XLogP3.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(3-Aminophenyl)-hydroxymethyl]phenyl]benzenesulfonamide
CID 156010186
4-[4-[(2-Aminophenyl)-hydroxymethyl]phenyl]benzenesulfonamide
CID 156019990
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097035
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide
CID 25097265
4-(4-bromophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 25097268
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 25097525
N-[3,4-bis(hydroxymethyl)phenyl]-4-(4-fluorophenyl)benzenesulfonamide
CID 25098084
4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 25098088
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-3-methylbenzenesulfonamide
CID 71717422
N-[2-[hydroxy(phenyl)methyl]-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
CID 166634172
4-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097033
4-(4-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097270

Frequently Asked Questions

What is the IUPAC name of N-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide (CID 4587533) is N-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is UXRSBYYQHJSRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-15-11-13-17(14-12-15)25(23,24)21-19-10-6-5-9-18(19)20(22)16-7-3-2-4-8-16/h2-14,20-22H,1H3.
What are the key properties of N-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide?
N-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 4587533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).