3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride

C12H19ClN2O2S — CID 119974293

IUPAC3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCc1cccc(S(=O)(=O)NCC2CCCN2)c1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-10-4-2-6-12(8-10)17(15,16)14-9-11-5-3-7-13-11;/h2,4,6,8,11,13-14H,3,5,7,9H2,1H3;1H
InChIKeyKBRDNXMWUIUDGI-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.45
Rot. Bonds4

About 3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride

3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 119974293) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
PubChem CID119974293
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCc1cccc(S(=O)(=O)NCC2CCCN2)c1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-10-4-2-6-12(8-10)17(15,16)14-9-11-5-3-7-13-11;/h2,4,6,8,11,13-14H,3,5,7,9H2,1H3;1H
InChIKeyKBRDNXMWUIUDGI-UHFFFAOYSA-N
XLogP1.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride 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-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974220
3-bromo-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540771
3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974575
methyl 3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 62540597
3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43120052
N-[(2-methylphenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride
CID 154899456
2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94479302
methyl 2-methyl-4-(pyrrolidin-2-ylmethylsulfamoyl)benzoate;hydrochloride
CID 119974554
3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043800
3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540409
2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084395
2,3-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974073

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride (CID 119974293) is 3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride is Cc1cccc(S(=O)(=O)NCC2CCCN2)c1.Cl.
What is the InChIKey of 3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is KBRDNXMWUIUDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S.ClH/c1-10-4-2-6-12(8-10)17(15,16)14-9-11-5-3-7-13-11;/h2,4,6,8,11,13-14H,3,5,7,9H2,1H3;1H.
What are the key properties of 3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119974293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).