N-[(2-chlorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide

C14H20ClN3O3S — CID 51083459

IUPACN-[(2-chlorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C14H20ClN3O3S/c1-22(20,21)17-12-6-4-8-18(10-12)14(19)16-9-11-5-2-3-7-13(11)15/h2-3,5,7,12,17H,4,6,8-10H2,1H3,(H,16,19)
InChIKeyQJXFOIMFWZIDFE-UHFFFAOYSA-N
MW345.85 g/mol
LogP1.56
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide

N-[(2-chlorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide (PubChem CID 51083459) has the molecular formula C14H20ClN3O3S and a molecular weight of 345.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide
PubChem CID51083459
Molecular FormulaC14H20ClN3O3S
Molecular Weight345.85 g/mol
Exact Mass345.09
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C14H20ClN3O3S/c1-22(20,21)17-12-6-4-8-18(10-12)14(19)16-9-11-5-2-3-7-13(11)15/h2-3,5,7,12,17H,4,6,8-10H2,1H3,(H,16,19)
InChIKeyQJXFOIMFWZIDFE-UHFFFAOYSA-N
XLogP1.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorobenzyl)-4-(methylsulfonyl)-1-piperazinecarbothioamide
CID 970851
4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 44573966
N~1~-(2-chlorobenzyl)-N~2~-(methylsulfonyl)-N~2~-(2-phenylethyl)glycinamide
CID 2226185
N-(2-chlorobenzyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 989288
N-(4-chlorobenzyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 989289
2-{N-[(4-Chlorophenyl)methyl]methanesulfonamido}-N-cyclohexylacetamide
CID 2229371
N-[(2-chlorophenyl)methyl]-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide
CID 4373626
(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-1,1-dioxothiazinane-3-carboxamide
CID 71463301
1-((2-Chlorophenyl)methyl)-3-(cyclohexyl)urea
CID 306748
2-[benzyl(methylsulfonyl)amino]-N-(2-chlorobenzyl)acetamide
CID 982254
4-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperazine-1-carboxamide
CID 6465541
2-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 45912577

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide (CID 51083459) is N-[(2-chlorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide is CS(=O)(=O)NC1CCCN(C(=O)NCc2ccccc2Cl)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The InChIKey is QJXFOIMFWZIDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3S/c1-22(20,21)17-12-6-4-8-18(10-12)14(19)16-9-11-5-2-3-7-13(11)15/h2-3,5,7,12,17H,4,6,8-10H2,1H3,(H,16,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide?
N-[(2-chlorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide has a molecular weight of 345.85 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide is sourced from PubChem (CID 51083459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).