N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide

C19H21ClN2O3S — CID 2710119

IUPACN-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H21ClN2O3S/c20-18-7-3-2-6-16(18)14-21-19(23)15-8-10-17(11-9-15)26(24,25)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-14H2,(H,21,23)
InChIKeyAVLKOOWRMFZVQH-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.44
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide

N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 2710119) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID2710119
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H21ClN2O3S/c20-18-7-3-2-6-16(18)14-21-19(23)15-8-10-17(11-9-15)26(24,25)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-14H2,(H,21,23)
InChIKeyAVLKOOWRMFZVQH-UHFFFAOYSA-N
XLogP3.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26692000
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 2532376
4-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide
CID 5135953
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide
CID 109047312
N-[(2-chlorophenyl)methyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53087222
4-piperidin-1-ylsulfonyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide
CID 71790720
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100682908
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
(2-chlorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate
CID 2557893
N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 94042960
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide (CID 2710119) is N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide is O=C(NCc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is AVLKOOWRMFZVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c20-18-7-3-2-6-16(18)14-21-19(23)15-8-10-17(11-9-15)26(24,25)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-14H2,(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide?
N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 392.91 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2710119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).