N-benzyl-2-chloro-N-propylbenzenesulfonamide

C16H18ClNO2S — CID 134017133

IUPACN-benzyl-2-chloro-N-propylbenzenesulfonamide
SMILESCCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C16H18ClNO2S/c1-2-12-18(13-14-8-4-3-5-9-14)21(19,20)16-11-7-6-10-15(16)17/h3-11H,2,12-13H2,1H3
InChIKeyAJTLXEMQEKJDNP-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.94
Rot. Bonds6

About N-benzyl-2-chloro-N-propylbenzenesulfonamide

N-benzyl-2-chloro-N-propylbenzenesulfonamide (PubChem CID 134017133) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-propylbenzenesulfonamide
PubChem CID134017133
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC NameN-benzyl-2-chloro-N-propylbenzenesulfonamide
SMILESCCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C16H18ClNO2S/c1-2-12-18(13-14-8-4-3-5-9-14)21(19,20)16-11-7-6-10-15(16)17/h3-11H,2,12-13H2,1H3
InChIKeyAJTLXEMQEKJDNP-UHFFFAOYSA-N
XLogP3.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide
CID 63396801
2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide
CID 63397021
2-chloro-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957799
N-(2-bromoethyl)-N-butyl-2-chlorobenzenesulfonamide
CID 80668725
N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide
CID 63396541
(2,3-dibromophenyl)methyl 3-[benzyl-(2-chlorophenyl)sulfonylamino]propanoate
CID 166345535
N,N-dibenzyl-4-chloro-2,5-dimethylbenzenesulfonamide
CID 3844822
3-[(2-chlorophenyl)sulfonyl-ethylamino]propanethioamide
CID 54992834
N-benzyl-4-cyano-N-propylbenzenesulfonamide
CID 30328624
N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 81233797
3-[benzyl(propyl)sulfamoyl]propanoic acid
CID 43362028
N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide
CID 80676433

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-propylbenzenesulfonamide?
The IUPAC name of N-benzyl-2-chloro-N-propylbenzenesulfonamide (CID 134017133) is N-benzyl-2-chloro-N-propylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-2-chloro-N-propylbenzenesulfonamide?
The canonical SMILES for N-benzyl-2-chloro-N-propylbenzenesulfonamide is CCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-benzyl-2-chloro-N-propylbenzenesulfonamide?
The InChIKey is AJTLXEMQEKJDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-2-12-18(13-14-8-4-3-5-9-14)21(19,20)16-11-7-6-10-15(16)17/h3-11H,2,12-13H2,1H3.
What are the key properties of N-benzyl-2-chloro-N-propylbenzenesulfonamide?
N-benzyl-2-chloro-N-propylbenzenesulfonamide has a molecular weight of 323.85 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-propylbenzenesulfonamide is sourced from PubChem (CID 134017133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).