4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide

C19H21ClN2O3S — CID 71808770

IUPAC4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O3S/c20-16-8-6-15(7-9-16)14-21-19(23)22-12-10-18(11-13-22)26(24,25)17-4-2-1-3-5-17/h1-9,18H,10-14H2,(H,21,23)
InChIKeyABVVPSHKRACRGH-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.49
Rot. Bonds4

About 4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide

4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 71808770) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide
PubChem CID71808770
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O3S/c20-16-8-6-15(7-9-16)14-21-19(23)22-12-10-18(11-13-22)26(24,25)17-4-2-1-3-5-17/h1-9,18H,10-14H2,(H,21,23)
InChIKeyABVVPSHKRACRGH-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorobenzyl)-4-(4-fluorophenylsulfonyl)piperidine-1-carboxamide
CID 46225085
N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide
CID 4786870
N-[(3-chlorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 9204198
4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 9207918
N-benzyl-2-(4-chlorobenzenesulfonyl)acetamide
CID 7543995
N-(4-chlorobenzyl)-4-ethyl-N-tosylpiperazine-1-carboxamide
CID 16803497
1-[(2,4-Dichlorophenyl)methyl]-1-methyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 17537968
2-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]acetamide
CID 2987579
N-[(4-chlorophenyl)methyl]-3-(4-methylbenzenesulfonyl)propanamide
CID 2101588
1-[1-(4-Chlorophenyl)propyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 42934827
N-benzyl-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide
CID 2819419
1-(4-Chlorobenzyl)-3-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)urea
CID 45504469

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide (CID 71808770) is 4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide is O=C(NCc1ccc(Cl)cc1)N1CCC(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is ABVVPSHKRACRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c20-16-8-6-15(7-9-16)14-21-19(23)22-12-10-18(11-13-22)26(24,25)17-4-2-1-3-5-17/h1-9,18H,10-14H2,(H,21,23).
What are the key properties of 4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide?
4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71808770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).