N-(3-benzylphenyl)-4-methylbenzenesulfonamide

C20H19NO2S — CID 3765217

IUPACN-(3-benzylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(Cc3ccccc3)c2)cc1
InChIInChI=1S/C20H19NO2S/c1-16-10-12-20(13-11-16)24(22,23)21-19-9-5-8-18(15-19)14-17-6-3-2-4-7-17/h2-13,15,21H,14H2,1H3
InChIKeyCAKSYXZYKVXAJC-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.39
Rot. Bonds5

About N-(3-benzylphenyl)-4-methylbenzenesulfonamide

N-(3-benzylphenyl)-4-methylbenzenesulfonamide (PubChem CID 3765217) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-(3-benzylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-benzylphenyl)-4-methylbenzenesulfonamide
PubChem CID3765217
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC NameN-(3-benzylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(Cc3ccccc3)c2)cc1
InChIInChI=1S/C20H19NO2S/c1-16-10-12-20(13-11-16)24(22,23)21-19-9-5-8-18(15-19)14-17-6-3-2-4-7-17/h2-13,15,21H,14H2,1H3
InChIKeyCAKSYXZYKVXAJC-UHFFFAOYSA-N
XLogP4.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide
CID 43606244
N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3858982
4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
CID 169370271
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 3719426
4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
CID 169370090
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
4-methyl-N-[3-[N-methyl-4-(N-methylanilino)anilino]phenyl]benzenesulfonamide
CID 54015900
N-[3-(chloromethyl)phenyl]benzenesulfonamide
CID 65033363
N-[3-(3-benzylphenyl)propyl]-4-methylbenzenesulfonamide
CID 101038565
N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide
CID 169372191

Frequently Asked Questions

What is the IUPAC name of N-(3-benzylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-benzylphenyl)-4-methylbenzenesulfonamide (CID 3765217) is N-(3-benzylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-benzylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-benzylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(Cc3ccccc3)c2)cc1.
What is the InChIKey of N-(3-benzylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is CAKSYXZYKVXAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-16-10-12-20(13-11-16)24(22,23)21-19-9-5-8-18(15-19)14-17-6-3-2-4-7-17/h2-13,15,21H,14H2,1H3.
What are the key properties of N-(3-benzylphenyl)-4-methylbenzenesulfonamide?
N-(3-benzylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 337.44 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3765217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).