4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride

C15H25ClN2O2S — CID 119974008

IUPAC4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCCC(C)c1ccc(S(=O)(=O)NCC2CCCN2)cc1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-3-12(2)13-6-8-15(9-7-13)20(18,19)17-11-14-5-4-10-16-14;/h6-9,12,14,16-17H,3-5,10-11H2,1-2H3;1H
InChIKeyDPNWMGUDMUFXHP-UHFFFAOYSA-N
MW332.90 g/mol
LogP2.65
Rot. Bonds6

About 4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride

4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 119974008) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is 4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
PubChem CID119974008
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC Name4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCCC(C)c1ccc(S(=O)(=O)NCC2CCCN2)cc1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-3-12(2)13-6-8-15(9-7-13)20(18,19)17-11-14-5-4-10-16-14;/h6-9,12,14,16-17H,3-5,10-11H2,1-2H3;1H
InChIKeyDPNWMGUDMUFXHP-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726766
4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974273
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293
2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 80686709
3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43120052
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119684565
4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide
CID 43603241
3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974220
4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972462
4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723443
N-methyl-N-prop-2-enyl-4-[[(2R)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride
CID 154896474
3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540409

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride (CID 119974008) is 4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride is CCC(C)c1ccc(S(=O)(=O)NCC2CCCN2)cc1.Cl.
What is the InChIKey of 4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is DPNWMGUDMUFXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S.ClH/c1-3-12(2)13-6-8-15(9-7-13)20(18,19)17-11-14-5-4-10-16-14;/h6-9,12,14,16-17H,3-5,10-11H2,1-2H3;1H.
What are the key properties of 4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 332.90 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119974008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).