N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

C23H30N4O3S — CID 86958237

IUPACN-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCN1CCCC(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)CC2)C1
InChIInChI=1S/C23H30N4O3S/c1-25-13-5-6-21(18-25)26-14-16-27(17-15-26)23(28)19-9-11-20(12-10-19)24-31(29,30)22-7-3-2-4-8-22/h2-4,7-12,21,24H,5-6,13-18H2,1H3
InChIKeyLUAQGVOSYDAFKF-UHFFFAOYSA-N
MW442.59 g/mol
LogP2.34
Rot. Bonds5

About N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide (PubChem CID 86958237) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
PubChem CID86958237
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC NameN-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCN1CCCC(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)CC2)C1
InChIInChI=1S/C23H30N4O3S/c1-25-13-5-6-21(18-25)26-14-16-27(17-15-26)23(28)19-9-11-20(12-10-19)24-31(29,30)22-7-3-2-4-8-22/h2-4,7-12,21,24H,5-6,13-18H2,1H3
InChIKeyLUAQGVOSYDAFKF-UHFFFAOYSA-N
XLogP2.34
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea
CID 86958381
N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide
CID 86958179
4-[[4-(4-methylpiperazine-1-carbonyl)phenyl]sulfamoyl]benzoic acid
CID 108782929
4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 97317013
3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 46850987
4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 56512192
1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55410159
(3S,4S)-1-[4-(benzenesulfonamido)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952283
(4-anilino-3-nitrophenyl)-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone
CID 86958345
N-phenyl-4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 24660136
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 56544473
N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 119633913

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide (CID 86958237) is N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide is CN1CCCC(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)CC2)C1.
What is the InChIKey of N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The InChIKey is LUAQGVOSYDAFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-25-13-5-6-21(18-25)26-14-16-27(17-15-26)23(28)19-9-11-20(12-10-19)24-31(29,30)22-7-3-2-4-8-22/h2-4,7-12,21,24H,5-6,13-18H2,1H3.
What are the key properties of N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide has a molecular weight of 442.59 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 86958237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).