4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide

C15H17ClN2O2S — CID 61380564

IUPAC4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-17-21(19,20)15-8-6-14(7-9-15)18-11-10-12-2-4-13(16)5-3-12/h2-9,17-18H,10-11H2,1H3
InChIKeySRFNMQVTERYDMO-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.90
Rot. Bonds6

About 4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide

4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide (PubChem CID 61380564) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
PubChem CID61380564
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-17-21(19,20)15-8-6-14(7-9-15)18-11-10-12-2-4-13(16)5-3-12/h2-9,17-18H,10-11H2,1H3
InChIKeySRFNMQVTERYDMO-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106060850
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
CID 61380567
potassium 4-chloro-N-methylbenzenesulfonamide
CID 21293199
4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 106048712
potassium;4-chloro-N-methylbenzenesulfonamide;hydride
CID 173400421
4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 43453851
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
N-methyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
CID 64531874
N-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide
CID 43453843
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 43662747

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide (CID 61380564) is 4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide?
The InChIKey is SRFNMQVTERYDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-17-21(19,20)15-8-6-14(7-9-15)18-11-10-12-2-4-13(16)5-3-12/h2-9,17-18H,10-11H2,1H3.
What are the key properties of 4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide?
4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 61380564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).