N-[(4-benzylphenyl)methyl]-4-chloro-N-(pyridin-2-ylmethyl)benzenesulfonamide

C26H23ClN2O2S — CID 46890726

IUPACN-[(4-benzylphenyl)methyl]-4-chloro-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(Cc2ccccc2)cc1)Cc1ccccn1
InChIInChI=1S/C26H23ClN2O2S/c27-24-13-15-26(16-14-24)32(30,31)29(20-25-8-4-5-17-28-25)19-23-11-9-22(10-12-23)18-21-6-2-1-3-7-21/h1-17H,18-20H2
InChIKeyFKPDPQVWDJWCOB-UHFFFAOYSA-N
MW463.00 g/mol
LogP5.72
Rot. Bonds8

About N-[(4-benzylphenyl)methyl]-4-chloro-N-(pyridin-2-ylmethyl)benzenesulfonamide

N-[(4-benzylphenyl)methyl]-4-chloro-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 46890726) has the molecular formula C26H23ClN2O2S and a molecular weight of 463.00 g/mol. Its IUPAC name is N-[(4-benzylphenyl)methyl]-4-chloro-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-benzylphenyl)methyl]-4-chloro-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID46890726
Molecular FormulaC26H23ClN2O2S
Molecular Weight463.00 g/mol
Exact Mass462.12
IUPAC NameN-[(4-benzylphenyl)methyl]-4-chloro-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(Cc2ccccc2)cc1)Cc1ccccn1
InChIInChI=1S/C26H23ClN2O2S/c27-24-13-15-26(16-14-24)32(30,31)29(20-25-8-4-5-17-28-25)19-23-11-9-22(10-12-23)18-21-6-2-1-3-7-21/h1-17H,18-20H2
InChIKeyFKPDPQVWDJWCOB-UHFFFAOYSA-N
XLogP5.72
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.00
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylphenyl)methyl]-4-chloro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[(4-benzylphenyl)methyl]-4-chloro-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 46890726) is N-[(4-benzylphenyl)methyl]-4-chloro-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[(4-benzylphenyl)methyl]-4-chloro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[(4-benzylphenyl)methyl]-4-chloro-N-(pyridin-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(Cc2ccccc2)cc1)Cc1ccccn1.
What is the InChIKey of N-[(4-benzylphenyl)methyl]-4-chloro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is FKPDPQVWDJWCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O2S/c27-24-13-15-26(16-14-24)32(30,31)29(20-25-8-4-5-17-28-25)19-23-11-9-22(10-12-23)18-21-6-2-1-3-7-21/h1-17H,18-20H2.
What are the key properties of N-[(4-benzylphenyl)methyl]-4-chloro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
N-[(4-benzylphenyl)methyl]-4-chloro-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 463.00 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylphenyl)methyl]-4-chloro-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 46890726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).