4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride

C18H31ClN2O2S — CID 119993611

IUPAC4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(C(C)CC)cc1.Cl
InChIInChI=1S/C18H30N2O2S.ClH/c1-4-14-20(17-10-12-19-13-11-17)23(21,22)18-8-6-16(7-9-18)15(3)5-2;/h6-9,15,17,19H,4-5,10-14H2,1-3H3;1H
InChIKeyGWGJYTQNYXTPJT-UHFFFAOYSA-N
MW374.98 g/mol
LogP3.77
Rot. Bonds7

About 4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride

4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride (PubChem CID 119993611) has the molecular formula C18H31ClN2O2S and a molecular weight of 374.98 g/mol. Its IUPAC name is 4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
PubChem CID119993611
Molecular FormulaC18H31ClN2O2S
Molecular Weight374.98 g/mol
Exact Mass374.18
IUPAC Name4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(C(C)CC)cc1.Cl
InChIInChI=1S/C18H30N2O2S.ClH/c1-4-14-20(17-10-12-19-13-11-17)23(21,22)18-8-6-16(7-9-18)15(3)5-2;/h6-9,15,17,19H,4-5,10-14H2,1-3H3;1H
InChIKeyGWGJYTQNYXTPJT-UHFFFAOYSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.98
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574
N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120712623
N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide
CID 119993786
N-piperidin-4-yl-N-propylnaphthalene-2-sulfonamide
CID 119993833
4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide
CID 43603241
N-piperidin-4-yl-N-propyl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120712631
4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 120875580
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119993891
3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993709
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993817
3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993908
5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride
CID 119994034

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride (CID 119993611) is 4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride is CCCN(C1CCNCC1)S(=O)(=O)c1ccc(C(C)CC)cc1.Cl.
What is the InChIKey of 4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
The InChIKey is GWGJYTQNYXTPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2S.ClH/c1-4-14-20(17-10-12-19-13-11-17)23(21,22)18-8-6-16(7-9-18)15(3)5-2;/h6-9,15,17,19H,4-5,10-14H2,1-3H3;1H.
What are the key properties of 4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride?
4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride has a molecular weight of 374.98 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119993611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).