4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride

C15H25ClN2O2S — CID 119964495

IUPAC4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCC(C)Cc1ccc(S(=O)(=O)NC2CCCNC2)cc1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-12(2)10-13-5-7-15(8-6-13)20(18,19)17-14-4-3-9-16-11-14;/h5-8,12,14,16-17H,3-4,9-11H2,1-2H3;1H
InChIKeyWCBGIXAHHNIZKJ-UHFFFAOYSA-N
MW332.90 g/mol
LogP2.34
Rot. Bonds5

About 4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride

4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 119964495) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID119964495
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC Name4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCC(C)Cc1ccc(S(=O)(=O)NC2CCCNC2)cc1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-12(2)10-13-5-7-15(8-6-13)20(18,19)17-14-4-3-9-16-11-14;/h5-8,12,14,16-17H,3-4,9-11H2,1-2H3;1H
InChIKeyWCBGIXAHHNIZKJ-UHFFFAOYSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964408
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707154
4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068886
N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120716651
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964352
N-[4-[[(3R)-piperidin-3-yl]sulfamoyl]phenyl]acetamide
CID 104645741
N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 120723735
4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide
CID 63321022

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride (CID 119964495) is 4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride is CC(C)Cc1ccc(S(=O)(=O)NC2CCCNC2)cc1.Cl.
What is the InChIKey of 4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is WCBGIXAHHNIZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S.ClH/c1-12(2)10-13-5-7-15(8-6-13)20(18,19)17-14-4-3-9-16-11-14;/h5-8,12,14,16-17H,3-4,9-11H2,1-2H3;1H.
What are the key properties of 4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 332.90 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119964495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).