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

C25H20ClNO3S — CID 134145786

IUPACN-benzyl-4-chloro-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H20ClNO3S/c26-21-11-17-25(18-12-21)31(28,29)27(19-20-7-3-1-4-8-20)22-13-15-24(16-14-22)30-23-9-5-2-6-10-23/h1-18H,19H2
InChIKeyBDEBUKRSUHDGEY-UHFFFAOYSA-N
MW449.96 g/mol
LogP6.53
Rot. Bonds7

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

N-benzyl-4-chloro-N-(4-phenoxyphenyl)benzenesulfonamide (PubChem CID 134145786) has the molecular formula C25H20ClNO3S and a molecular weight of 449.96 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-(4-phenoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-(4-phenoxyphenyl)benzenesulfonamide
PubChem CID134145786
Molecular FormulaC25H20ClNO3S
Molecular Weight449.96 g/mol
Exact Mass449.09
IUPAC NameN-benzyl-4-chloro-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H20ClNO3S/c26-21-11-17-25(18-12-21)31(28,29)27(19-20-7-3-1-4-8-20)22-13-15-24(16-14-22)30-23-9-5-2-6-10-23/h1-18H,19H2
InChIKeyBDEBUKRSUHDGEY-UHFFFAOYSA-N
XLogP6.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.96
LogP ≤ 56.53
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-phenoxyphenyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-chloro-N-(4-phenoxyphenyl)benzenesulfonamide (CID 134145786) is N-benzyl-4-chloro-N-(4-phenoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-chloro-N-(4-phenoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-chloro-N-(4-phenoxyphenyl)benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-chloro-N-(4-phenoxyphenyl)benzenesulfonamide?
The InChIKey is BDEBUKRSUHDGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO3S/c26-21-11-17-25(18-12-21)31(28,29)27(19-20-7-3-1-4-8-20)22-13-15-24(16-14-22)30-23-9-5-2-6-10-23/h1-18H,19H2.
What are the key properties of N-benzyl-4-chloro-N-(4-phenoxyphenyl)benzenesulfonamide?
N-benzyl-4-chloro-N-(4-phenoxyphenyl)benzenesulfonamide has a molecular weight of 449.96 g/mol, XLogP of 6.53, 7 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-phenoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 134145786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).