3-chloro-N-[2-(N-ethyl-3-methylanilino)ethyl]benzenesulfonamide

C17H21ClN2O2S — CID 3683991

IUPAC3-chloro-N-[2-(N-ethyl-3-methylanilino)ethyl]benzenesulfonamide
SMILESCCN(CCNS(=O)(=O)c1cccc(Cl)c1)c1cccc(C)c1
InChIInChI=1S/C17H21ClN2O2S/c1-3-20(16-8-4-6-14(2)12-16)11-10-19-23(21,22)17-9-5-7-15(18)13-17/h4-9,12-13,19H,3,10-11H2,1-2H3
InChIKeyJPKVCRBCKPHHSM-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.45
Rot. Bonds7

About 3-chloro-N-[2-(N-ethyl-3-methylanilino)ethyl]benzenesulfonamide

3-chloro-N-[2-(N-ethyl-3-methylanilino)ethyl]benzenesulfonamide (PubChem CID 3683991) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is 3-chloro-N-[2-(N-ethyl-3-methylanilino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(N-ethyl-3-methylanilino)ethyl]benzenesulfonamide
PubChem CID3683991
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC Name3-chloro-N-[2-(N-ethyl-3-methylanilino)ethyl]benzenesulfonamide
SMILESCCN(CCNS(=O)(=O)c1cccc(Cl)c1)c1cccc(C)c1
InChIInChI=1S/C17H21ClN2O2S/c1-3-20(16-8-4-6-14(2)12-16)11-10-19-23(21,22)17-9-5-7-15(18)13-17/h4-9,12-13,19H,3,10-11H2,1-2H3
InChIKeyJPKVCRBCKPHHSM-UHFFFAOYSA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-ethyl-3-methylanilino)ethyl]-2-fluorobenzenesulfonamide
CID 3863839
3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3839904
1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 63495320
N-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060127
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
N-(2-bromopropyl)-3-chlorobenzenesulfonamide
CID 114295767
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 35825092
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
N-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3596534
N-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide
CID 109008467

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(N-ethyl-3-methylanilino)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(N-ethyl-3-methylanilino)ethyl]benzenesulfonamide (CID 3683991) is 3-chloro-N-[2-(N-ethyl-3-methylanilino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(N-ethyl-3-methylanilino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(N-ethyl-3-methylanilino)ethyl]benzenesulfonamide is CCN(CCNS(=O)(=O)c1cccc(Cl)c1)c1cccc(C)c1.
What is the InChIKey of 3-chloro-N-[2-(N-ethyl-3-methylanilino)ethyl]benzenesulfonamide?
The InChIKey is JPKVCRBCKPHHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S/c1-3-20(16-8-4-6-14(2)12-16)11-10-19-23(21,22)17-9-5-7-15(18)13-17/h4-9,12-13,19H,3,10-11H2,1-2H3.
What are the key properties of 3-chloro-N-[2-(N-ethyl-3-methylanilino)ethyl]benzenesulfonamide?
3-chloro-N-[2-(N-ethyl-3-methylanilino)ethyl]benzenesulfonamide has a molecular weight of 352.89 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(N-ethyl-3-methylanilino)ethyl]benzenesulfonamide is sourced from PubChem (CID 3683991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).