N-benzyl-2-methoxy-4-methylbenzenesulfonamide

C15H17NO3S — CID 801458

IUPACN-benzyl-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)ccc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C15H17NO3S/c1-12-8-9-15(14(10-12)19-2)20(17,18)16-11-13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3
InChIKeyLKIOHUBVHSLDEN-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.48
Rot. Bonds5

About N-benzyl-2-methoxy-4-methylbenzenesulfonamide

N-benzyl-2-methoxy-4-methylbenzenesulfonamide (PubChem CID 801458) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-benzyl-2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-methoxy-4-methylbenzenesulfonamide
PubChem CID801458
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-benzyl-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)ccc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C15H17NO3S/c1-12-8-9-15(14(10-12)19-2)20(17,18)16-11-13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3
InChIKeyLKIOHUBVHSLDEN-UHFFFAOYSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
N-benzyl-2-butoxy-4-methylbenzenesulfonamide
CID 16645128
2-methoxy-N-[(4-methylphenyl)methyl]-4-nitrobenzenesulfonamide
CID 39619479
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
N-benzyl-5-iodo-2-methoxybenzenesulfonamide
CID 1325962
2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 9190953
N-benzyl-2-methoxy-4-methylaniline
CID 54865649
N-benzyl-4-methyl-2-(prop-2-ynylamino)benzenesulfonamide
CID 135017768
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909
2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]-5-methylbenzenesulfonamide
CID 110779814
2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 8777833

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-2-methoxy-4-methylbenzenesulfonamide (CID 801458) is N-benzyl-2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-2-methoxy-4-methylbenzenesulfonamide is COc1cc(C)ccc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is LKIOHUBVHSLDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-12-8-9-15(14(10-12)19-2)20(17,18)16-11-13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3.
What are the key properties of N-benzyl-2-methoxy-4-methylbenzenesulfonamide?
N-benzyl-2-methoxy-4-methylbenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 801458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).