2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

C18H19ClN2O3S — CID 1362650

IUPAC2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3S/c19-17-7-3-2-6-16(17)18(22)20-14-8-10-15(11-9-14)25(23,24)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-13H2,(H,20,22)
InChIKeyPQNWTISXSBUROJ-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.77
Rot. Bonds4

About 2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 1362650) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID1362650
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3S/c19-17-7-3-2-6-16(17)18(22)20-14-8-10-15(11-9-14)25(23,24)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-13H2,(H,20,22)
InChIKeyPQNWTISXSBUROJ-UHFFFAOYSA-N
XLogP3.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
Benzeneacetamide, N-(4-(aminosulfonyl)-2-chlorophenyl)-
CID 3051968
2,4-Dichloro-N-phenyl-5-(1-piperidinylsulfonyl)benzamide
CID 1107106
4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 2485627
2-(benzylamino)-N-butyl-4-chloro-5-sulfamoylbenzamide
CID 126507891
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
4-chloro-N-{4-[(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)methyl]phenyl}benzamide
CID 2812624
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 5157334
4-[(3-Chlorophenyl)sulfamoyl]-~{n}-(Phenylmethyl)-~{n}-Propyl-Benzamide
CID 126970809

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 1362650) is 2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is PQNWTISXSBUROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c19-17-7-3-2-6-16(17)18(22)20-14-8-10-15(11-9-14)25(23,24)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-13H2,(H,20,22).
What are the key properties of 2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 378.88 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 1362650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).