4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide

C22H23N5O3S — CID 55705458

IUPAC4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H23N5O3S/c28-21(25-18-11-15-27(16-12-18)22-23-13-4-14-24-22)17-7-9-19(10-8-17)26-31(29,30)20-5-2-1-3-6-20/h1-10,13-14,18,26H,11-12,15-16H2,(H,25,28)
InChIKeyAAJGJVJWOPNMAI-UHFFFAOYSA-N
MW437.53 g/mol
LogP2.68
Rot. Bonds6

About 4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide

4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide (PubChem CID 55705458) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
PubChem CID55705458
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Name4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H23N5O3S/c28-21(25-18-11-15-27(16-12-18)22-23-13-4-14-24-22)17-7-9-19(10-8-17)26-31(29,30)20-5-2-1-3-6-20/h1-10,13-14,18,26H,11-12,15-16H2,(H,25,28)
InChIKeyAAJGJVJWOPNMAI-UHFFFAOYSA-N
XLogP2.68
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133
N-cyclopentyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386307
N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide
CID 46537325
4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55721603
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712544
N-[4-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 55705433
4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482229
6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53119974
cis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677340
4-(benzenesulfonamido)-N-(2-methylcyclohexyl)benzamide
CID 25047790
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55722019
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-cyclopropylbenzamide
CID 34281161

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide (CID 55705458) is 4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide is O=C(NC1CCN(c2ncccn2)CC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The InChIKey is AAJGJVJWOPNMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c28-21(25-18-11-15-27(16-12-18)22-23-13-4-14-24-22)17-7-9-19(10-8-17)26-31(29,30)20-5-2-1-3-6-20/h1-10,13-14,18,26H,11-12,15-16H2,(H,25,28).
What are the key properties of 4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide has a molecular weight of 437.53 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 55705458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).