N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide

C15H15Cl2NO2S — CID 3687846

IUPACN-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H15Cl2NO2S/c1-11-3-2-4-13(9-11)21(19,20)18-8-7-12-5-6-14(16)15(17)10-12/h2-6,9-10,18H,7-8H2,1H3
InChIKeyRTOWLHGCVVOIGY-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.82
Rot. Bonds5

About N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide

N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide (PubChem CID 3687846) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide
PubChem CID3687846
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC NameN-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H15Cl2NO2S/c1-11-3-2-4-13(9-11)21(19,20)18-8-7-12-5-6-14(16)15(17)10-12/h2-6,9-10,18H,7-8H2,1H3
InChIKeyRTOWLHGCVVOIGY-UHFFFAOYSA-N
XLogP3.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
CID 11978291
N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3714590
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 55353251
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 3716160
3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3731467
3,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 43008790
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-methylbenzenesulfonamide
CID 110718842
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 49460269
N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107234034
N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 3810708
3-methyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110717603

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide (CID 3687846) is N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide?
The InChIKey is RTOWLHGCVVOIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c1-11-3-2-4-13(9-11)21(19,20)18-8-7-12-5-6-14(16)15(17)10-12/h2-6,9-10,18H,7-8H2,1H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide?
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide has a molecular weight of 344.26 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 3687846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).