N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide

C20H19NO3S — CID 24718071

IUPACN-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H19NO3S/c1-24-19-12-8-11-18(15-19)21(16-17-9-4-2-5-10-17)25(22,23)20-13-6-3-7-14-20/h2-15H,16H2,1H3
InChIKeyKRQYIWLRWJSYAY-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.09
Rot. Bonds6

About N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide

N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 24718071) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID24718071
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H19NO3S/c1-24-19-12-8-11-18(15-19)21(16-17-9-4-2-5-10-17)25(22,23)20-13-6-3-7-14-20/h2-15H,16H2,1H3
InChIKeyKRQYIWLRWJSYAY-UHFFFAOYSA-N
XLogP4.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46021774
N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 42841956
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383
2-[3-[benzenesulfonyl(benzyl)amino]phenoxy]acetic acid
CID 54481093
N-benzyl-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 1100135
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654
N-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46023029
N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022969
(2R)-2-[[2-[N-(benzenesulfonyl)-3-methoxyanilino]acetyl]-benzylamino]-N-propan-2-ylpropanamide
CID 125047162
2-[[2-[N-(benzenesulfonyl)-3-methoxyanilino]acetyl]-benzylamino]-N-ethylbutanamide
CID 132683552
N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841886

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide (CID 24718071) is N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide is COc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is KRQYIWLRWJSYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-24-19-12-8-11-18(15-19)21(16-17-9-4-2-5-10-17)25(22,23)20-13-6-3-7-14-20/h2-15H,16H2,1H3.
What are the key properties of N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide?
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 24718071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).