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

C15H17ClN2O2S — CID 61380567

IUPACN-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-17-14-6-8-15(9-7-14)21(19,20)18-11-10-12-2-4-13(16)5-3-12/h2-9,17-18H,10-11H2,1H3
InChIKeyRCBFELCRKNVJLX-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.90
Rot. Bonds6

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

N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide (PubChem CID 61380567) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
PubChem CID61380567
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-17-14-6-8-15(9-7-14)21(19,20)18-11-10-12-2-4-13(16)5-3-12/h2-9,17-18H,10-11H2,1H3
InChIKeyRCBFELCRKNVJLX-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-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 16890429
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 61380564
N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106060850
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113
acetonitrile;4-chloro-N-(2-phenylethyl)benzenesulfonamide;hydrate
CID 174293454
4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60640413
ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
CID 12945833
4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119972887
1-(4-chlorophenyl)-3-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]phenyl]sulfonylthiourea
CID 118713288
4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80689629

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide (CID 61380567) is N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide is CNc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide?
The InChIKey is RCBFELCRKNVJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-17-14-6-8-15(9-7-14)21(19,20)18-11-10-12-2-4-13(16)5-3-12/h2-9,17-18H,10-11H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide?
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)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-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 61380567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).