N-benzyl-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide

C20H18ClNO3S — CID 3431629

IUPACN-benzyl-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H18ClNO3S/c1-25-19-11-9-18(10-12-19)22(15-16-5-3-2-4-6-16)26(23,24)20-13-7-17(21)8-14-20/h2-14H,15H2,1H3
InChIKeyNCBDZIIXTYLOEZ-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.74
Rot. Bonds6

About N-benzyl-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide

N-benzyl-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 3431629) has the molecular formula C20H18ClNO3S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID3431629
Molecular FormulaC20H18ClNO3S
Molecular Weight387.89 g/mol
Exact Mass387.07
IUPAC NameN-benzyl-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H18ClNO3S/c1-25-19-11-9-18(10-12-19)22(15-16-5-3-2-4-6-16)26(23,24)20-13-7-17(21)8-14-20/h2-14H,15H2,1H3
InChIKeyNCBDZIIXTYLOEZ-UHFFFAOYSA-N
XLogP4.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide (CID 3431629) is N-benzyl-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-benzyl-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is NCBDZIIXTYLOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3S/c1-25-19-11-9-18(10-12-19)22(15-16-5-3-2-4-6-16)26(23,24)20-13-7-17(21)8-14-20/h2-14H,15H2,1H3.
What are the key properties of N-benzyl-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide?
N-benzyl-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 387.89 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 3431629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).