4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride

C15H25ClN2O4S2 — CID 55538300

IUPAC4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCCCN1CCC(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1.Cl
InChIInChI=1S/C15H24N2O4S2.ClH/c1-3-10-17-11-8-13(9-12-17)16-23(20,21)15-6-4-14(5-7-15)22(2,18)19;/h4-7,13,16H,3,8-12H2,1-2H3;1H
InChIKeyDZRNKSWXEOVITC-UHFFFAOYSA-N
MW396.96 g/mol
LogP1.66
Rot. Bonds6

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

4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 55538300) has the molecular formula C15H25ClN2O4S2 and a molecular weight of 396.96 g/mol. Its IUPAC name is 4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID55538300
Molecular FormulaC15H25ClN2O4S2
Molecular Weight396.96 g/mol
Exact Mass396.09
IUPAC Name4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCCCN1CCC(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1.Cl
InChIInChI=1S/C15H24N2O4S2.ClH/c1-3-10-17-11-8-13(9-12-17)16-23(20,21)15-6-4-14(5-7-15)22(2,18)19;/h4-7,13,16H,3,8-12H2,1-2H3;1H
InChIKeyDZRNKSWXEOVITC-UHFFFAOYSA-N
XLogP1.66
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.96
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 51110179
3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772626
N-(4-methylsulfonylphenyl)-1-propylazepan-4-amine
CID 65072534
3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 51204299
4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide
CID 60605262
2-nitro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772629
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
2,5-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 60664808
2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 61059201
4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 110714982
3-[(1-propylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 60709073

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride (CID 55538300) is 4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride is CCCN1CCC(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1.Cl.
What is the InChIKey of 4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is DZRNKSWXEOVITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S2.ClH/c1-3-10-17-11-8-13(9-12-17)16-23(20,21)15-6-4-14(5-7-15)22(2,18)19;/h4-7,13,16H,3,8-12H2,1-2H3;1H.
What are the key properties of 4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 396.96 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 55538300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).