N-[1-(4-chlorophenyl)ethyl]-2-(methylamino)benzenesulfonamide

C15H17ClN2O2S — CID 62158447

IUPACN-[1-(4-chlorophenyl)ethyl]-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-11(12-7-9-13(16)10-8-12)18-21(19,20)15-6-4-3-5-14(15)17-2/h3-11,17-18H,1-2H3
InChIKeyJULSYWBPCKZYKB-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.42
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethyl]-2-(methylamino)benzenesulfonamide

N-[1-(4-chlorophenyl)ethyl]-2-(methylamino)benzenesulfonamide (PubChem CID 62158447) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-(methylamino)benzenesulfonamide
PubChem CID62158447
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-11(12-7-9-13(16)10-8-12)18-21(19,20)15-6-4-3-5-14(15)17-2/h3-11,17-18H,1-2H3
InChIKeyJULSYWBPCKZYKB-UHFFFAOYSA-N
XLogP3.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide
CID 3415984
N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide
CID 3814235
N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 3816054
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 39818916
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 40744824
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 60639502
2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 4827426
4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61105766
1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
CID 1274088
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide
CID 26944075
4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 61105575

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(methylamino)benzenesulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(methylamino)benzenesulfonamide (CID 62158447) is N-[1-(4-chlorophenyl)ethyl]-2-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-(methylamino)benzenesulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-(methylamino)benzenesulfonamide is CNc1ccccc1S(=O)(=O)NC(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-(methylamino)benzenesulfonamide?
The InChIKey is JULSYWBPCKZYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-11(12-7-9-13(16)10-8-12)18-21(19,20)15-6-4-3-5-14(15)17-2/h3-11,17-18H,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-(methylamino)benzenesulfonamide?
N-[1-(4-chlorophenyl)ethyl]-2-(methylamino)benzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-(methylamino)benzenesulfonamide is sourced from PubChem (CID 62158447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).