3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C13H19ClN2O2S — CID 57395160

IUPAC3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2O2S/c1-15-8-6-12(7-9-15)16(2)19(17,18)13-5-3-4-11(14)10-13/h3-5,10,12H,6-9H2,1-2H3
InChIKeyNLJMLUWAFFQJET-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.05
Rot. Bonds3

About 3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 57395160) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID57395160
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2O2S/c1-15-8-6-12(7-9-15)16(2)19(17,18)13-5-3-4-11(14)10-13/h3-5,10,12H,6-9H2,1-2H3
InChIKeyNLJMLUWAFFQJET-UHFFFAOYSA-N
XLogP2.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide
CID 2735724
1-(4-Chlorophenyl)sulfonyl-4-methylpiperazine
CID 754318
4-Chloro-N-methyl-N-(1-methyl-piperidin-4-yl)-benzenesulfonamide
CID 1129292
Piperidine, 1-[(2,5-dichlorophenyl)sulfonyl]-
CID 646492
N,N-Dibutyl-4-chlorobenzenesulfonamide
CID 31385
1-[(4-Chlorophenyl)sulfonyl]-3-methylpiperidine
CID 2842964
1-[(2,5-Dichlorophenyl)sulfonyl]-3-methylpiperidine
CID 2806415
1-(4-Chlorophenylsulfonyl)-4-methylpiperidine
CID 310129
1-[(2,3-Dichlorophenyl)sulfonyl]piperidine
CID 691910
Rac-(cis)-1-(4-chlorophenylsulfonyl)-2,6-dimethylpiperidine
CID 822847
1-(3-Chlorophenyl)sulfonylpyrrolidine
CID 890981
3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
CID 10715573

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 57395160) is 3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is CN1CCC(N(C)S(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is NLJMLUWAFFQJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-15-8-6-12(7-9-15)16(2)19(17,18)13-5-3-4-11(14)10-13/h3-5,10,12H,6-9H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 57395160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).