N-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide

C15H22N2O3S — CID 114680950

IUPACN-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide
SMILESCC1CN(c2ccc(S(=O)(=O)NC3CC3)cc2)CCC1O
InChIInChI=1S/C15H22N2O3S/c1-11-10-17(9-8-15(11)18)13-4-6-14(7-5-13)21(19,20)16-12-2-3-12/h4-7,11-12,15-16,18H,2-3,8-10H2,1H3
InChIKeySXWWDUPIKFVAIA-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.33
Rot. Bonds4

About N-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide

N-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide (PubChem CID 114680950) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide
PubChem CID114680950
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide
SMILESCC1CN(c2ccc(S(=O)(=O)NC3CC3)cc2)CCC1O
InChIInChI=1S/C15H22N2O3S/c1-11-10-17(9-8-15(11)18)13-4-6-14(7-5-13)21(19,20)16-12-2-3-12/h4-7,11-12,15-16,18H,2-3,8-10H2,1H3
InChIKeySXWWDUPIKFVAIA-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-amino-3-methylpiperidin-1-yl)-N-cyclopropylbenzenesulfonamide
CID 79874852
N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide
CID 81107725
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56557830
tert-butyl N-[1-[4-(cyclononylsulfamoyl)phenyl]piperidin-4-yl]carbamate
CID 163841745
4-chloro-3-methyl-1-[4-(trifluoromethylsulfonyl)phenyl]piperidine
CID 114682667
N-cyclopropyl-4-(2,5-dimethylpiperazin-1-yl)benzenesulfonamide
CID 64983798
4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide
CID 104892759
(3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol
CID 99790197
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508
4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide
CID 104892809
4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 16787126
4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64741660

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide (CID 114680950) is N-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide is CC1CN(c2ccc(S(=O)(=O)NC3CC3)cc2)CCC1O.
What is the InChIKey of N-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide?
The InChIKey is SXWWDUPIKFVAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-10-17(9-8-15(11)18)13-4-6-14(7-5-13)21(19,20)16-12-2-3-12/h4-7,11-12,15-16,18H,2-3,8-10H2,1H3.
What are the key properties of N-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide?
N-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 114680950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).