N-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide

C18H27ClN2O4S — CID 78856093

IUPACN-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCCCCN(CCO)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H27ClN2O4S/c1-2-3-9-20(12-13-22)18(23)15-7-8-16(19)17(14-15)26(24,25)21-10-5-4-6-11-21/h7-8,14,22H,2-6,9-13H2,1H3
InChIKeyQIQTWBXLTQVBPR-UHFFFAOYSA-N
MW402.94 g/mol
LogP2.75
Rot. Bonds8

About N-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide

N-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 78856093) has the molecular formula C18H27ClN2O4S and a molecular weight of 402.94 g/mol. Its IUPAC name is N-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID78856093
Molecular FormulaC18H27ClN2O4S
Molecular Weight402.94 g/mol
Exact Mass402.14
IUPAC NameN-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCCCCN(CCO)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H27ClN2O4S/c1-2-3-9-20(12-13-22)18(23)15-7-8-16(19)17(14-15)26(24,25)21-10-5-4-6-11-21/h7-8,14,22H,2-6,9-13H2,1H3
InChIKeyQIQTWBXLTQVBPR-UHFFFAOYSA-N
XLogP2.75
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.94
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2359100
N-butyl-4-chloro-N-(2-hydroxyethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 78856032
4-chloro-N,N-diethyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25247053
4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 134057878
4-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 47829927
N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 52539969
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103853206
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 60555557
3-(azepan-1-ylsulfonyl)-4-chloro-N-methyl-N-(2-methylpropyl)benzamide
CID 134058564
4-chloro-N-methyl-N-(2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 134058596
4-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43028000
3-(azepan-1-ylsulfonyl)-N-benzyl-4-chloro-N-(2-methoxyethyl)benzamide
CID 26292081

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide (CID 78856093) is N-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide is CCCCN(CCO)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is QIQTWBXLTQVBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O4S/c1-2-3-9-20(12-13-22)18(23)15-7-8-16(19)17(14-15)26(24,25)21-10-5-4-6-11-21/h7-8,14,22H,2-6,9-13H2,1H3.
What are the key properties of N-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide?
N-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 402.94 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 78856093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).