N,N-dibenzyl-3-chlorobenzenesulfonamide

C20H18ClNO2S — CID 3277634

IUPACN,N-dibenzyl-3-chlorobenzenesulfonamide
SMILESO=S(=O)(c1cccc(Cl)c1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H18ClNO2S/c21-19-12-7-13-20(14-19)25(23,24)22(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2
InChIKeyNRTXTALHVVCNRD-UHFFFAOYSA-N
MW371.89 g/mol
LogP4.73
Rot. Bonds6

About N,N-dibenzyl-3-chlorobenzenesulfonamide

N,N-dibenzyl-3-chlorobenzenesulfonamide (PubChem CID 3277634) has the molecular formula C20H18ClNO2S and a molecular weight of 371.89 g/mol. Its IUPAC name is N,N-dibenzyl-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-3-chlorobenzenesulfonamide
PubChem CID3277634
Molecular FormulaC20H18ClNO2S
Molecular Weight371.89 g/mol
Exact Mass371.07
IUPAC NameN,N-dibenzyl-3-chlorobenzenesulfonamide
SMILESO=S(=O)(c1cccc(Cl)c1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H18ClNO2S/c21-19-12-7-13-20(14-19)25(23,24)22(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2
InChIKeyNRTXTALHVVCNRD-UHFFFAOYSA-N
XLogP4.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-chlorobenzenesulfonamide?
The IUPAC name of N,N-dibenzyl-3-chlorobenzenesulfonamide (CID 3277634) is N,N-dibenzyl-3-chlorobenzenesulfonamide.
What is the SMILES notation for N,N-dibenzyl-3-chlorobenzenesulfonamide?
The canonical SMILES for N,N-dibenzyl-3-chlorobenzenesulfonamide is O=S(=O)(c1cccc(Cl)c1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-3-chlorobenzenesulfonamide?
The InChIKey is NRTXTALHVVCNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2S/c21-19-12-7-13-20(14-19)25(23,24)22(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2.
What are the key properties of N,N-dibenzyl-3-chlorobenzenesulfonamide?
N,N-dibenzyl-3-chlorobenzenesulfonamide has a molecular weight of 371.89 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-chlorobenzenesulfonamide is sourced from PubChem (CID 3277634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).