4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride

C17H29ClN2O2S — CID 51110179

IUPAC4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCCCN1CCC(NS(=O)(=O)c2ccc(C(C)C)cc2)CC1.Cl
InChIInChI=1S/C17H28N2O2S.ClH/c1-4-11-19-12-9-16(10-13-19)18-22(20,21)17-7-5-15(6-8-17)14(2)3;/h5-8,14,16,18H,4,9-13H2,1-3H3;1H
InChIKeyLQBAGZSHXYCNBC-UHFFFAOYSA-N
MW360.95 g/mol
LogP3.38
Rot. Bonds6

About 4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride

4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 51110179) has the molecular formula C17H29ClN2O2S and a molecular weight of 360.95 g/mol. Its IUPAC name is 4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID51110179
Molecular FormulaC17H29ClN2O2S
Molecular Weight360.95 g/mol
Exact Mass360.16
IUPAC Name4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCCCN1CCC(NS(=O)(=O)c2ccc(C(C)C)cc2)CC1.Cl
InChIInChI=1S/C17H28N2O2S.ClH/c1-4-11-19-12-9-16(10-13-19)18-22(20,21)17-7-5-15(6-8-17)14(2)3;/h5-8,14,16,18H,4,9-13H2,1-3H3;1H
InChIKeyLQBAGZSHXYCNBC-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.95
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 55538300
4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide
CID 60605262
N-cyclopentyl-4-propan-2-ylbenzenesulfonamide
CID 6469335
3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772626
N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 52534305
3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 51204299
2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide
CID 91051221
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597507
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017912
N-[1-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
CID 40952437
2-nitro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772629

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride (CID 51110179) is 4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride is CCCN1CCC(NS(=O)(=O)c2ccc(C(C)C)cc2)CC1.Cl.
What is the InChIKey of 4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is LQBAGZSHXYCNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S.ClH/c1-4-11-19-12-9-16(10-13-19)18-22(20,21)17-7-5-15(6-8-17)14(2)3;/h5-8,14,16,18H,4,9-13H2,1-3H3;1H.
What are the key properties of 4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 360.95 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 51110179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).