N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide

C15H17ClN2O2S — CID 106060850

IUPACN-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-17-11-10-12-2-8-15(9-3-12)21(19,20)18-14-6-4-13(16)5-7-14/h2-9,17-18H,10-11H2,1H3
InChIKeyHFDJMLCDOTZMGF-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.90
Rot. Bonds6

About N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide

N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide (PubChem CID 106060850) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
PubChem CID106060850
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-17-11-10-12-2-8-15(9-3-12)21(19,20)18-14-6-4-13(16)5-7-14/h2-9,17-18H,10-11H2,1H3
InChIKeyHFDJMLCDOTZMGF-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

4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 43662747
4-(3-aminopropyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060775
4-chloro-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65031117
4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 61380564
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
CID 61380567
4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 106073262
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide
CID 106070098
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide (CID 106060850) is N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide is CNCCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is HFDJMLCDOTZMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-17-11-10-12-2-8-15(9-3-12)21(19,20)18-14-6-4-13(16)5-7-14/h2-9,17-18H,10-11H2,1H3.
What are the key properties of N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide?
N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide 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 N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 106060850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).