2-(3-chloro-4-methylanilino)ethanesulfonamide

C9H13ClN2O2S — CID 114384702

IUPAC2-(3-chloro-4-methylanilino)ethanesulfonamide
SMILESCc1ccc(NCCS(N)(=O)=O)cc1Cl
InChIInChI=1S/C9H13ClN2O2S/c1-7-2-3-8(6-9(7)10)12-4-5-15(11,13)14/h2-3,6,12H,4-5H2,1H3,(H2,11,13,14)
InChIKeyFLKWEHCEZVFVDS-UHFFFAOYSA-N
MW248.73 g/mol
LogP1.35
Rot. Bonds4

About 2-(3-chloro-4-methylanilino)ethanesulfonamide

2-(3-chloro-4-methylanilino)ethanesulfonamide (PubChem CID 114384702) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)ethanesulfonamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)ethanesulfonamide
PubChem CID114384702
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name2-(3-chloro-4-methylanilino)ethanesulfonamide
SMILESCc1ccc(NCCS(N)(=O)=O)cc1Cl
InChIInChI=1S/C9H13ClN2O2S/c1-7-2-3-8(6-9(7)10)12-4-5-15(11,13)14/h2-3,6,12H,4-5H2,1H3,(H2,11,13,14)
InChIKeyFLKWEHCEZVFVDS-UHFFFAOYSA-N
XLogP1.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 892262
1-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]methanesulfonamide
CID 2738598
N-(3-chloro-4-methylphenyl)-1-phenylmethanesulfonamide
CID 669258
4-[(2-Chloro-6-fluorobenzyl)amino]benzenesulfonamide
CID 834457
N-(3-chloro-4-methylphenyl)piperidine-1-sulfonamide
CID 2991905
3-chloro-N,4-dimethylaniline
CID 20616113
2-Chloro-4-(ethylamino)benzonitrile
CID 43347965
1-(3-Chloro-4-methylphenyl)-3-[(1,1-dioxothiolan-3-yl)methyl]urea
CID 42951394
5-chloro-N-[(2-fluorophenyl)methyl]-2-(methylsulfonylmethyl)aniline
CID 71997874
N-[(2,5-dichlorophenyl)methyl]-2-(methylsulfonylmethyl)aniline
CID 71997960
N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 75395135
N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-2-methylsulfonylethanamine
CID 84593758

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)ethanesulfonamide?
The IUPAC name of 2-(3-chloro-4-methylanilino)ethanesulfonamide (CID 114384702) is 2-(3-chloro-4-methylanilino)ethanesulfonamide.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)ethanesulfonamide?
The canonical SMILES for 2-(3-chloro-4-methylanilino)ethanesulfonamide is Cc1ccc(NCCS(N)(=O)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylanilino)ethanesulfonamide?
The InChIKey is FLKWEHCEZVFVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-7-2-3-8(6-9(7)10)12-4-5-15(11,13)14/h2-3,6,12H,4-5H2,1H3,(H2,11,13,14).
What are the key properties of 2-(3-chloro-4-methylanilino)ethanesulfonamide?
2-(3-chloro-4-methylanilino)ethanesulfonamide has a molecular weight of 248.73 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)ethanesulfonamide is sourced from PubChem (CID 114384702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).