N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide

C13H17BrN2O3S — CID 2192347

IUPACN-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C13H17BrN2O3S/c1-20(18,19)16-8-6-10(7-9-16)13(17)15-12-5-3-2-4-11(12)14/h2-5,10H,6-9H2,1H3,(H,15,17)
InChIKeyLCCHQHQRSNIYDS-UHFFFAOYSA-N
MW361.26 g/mol
LogP2.06
Rot. Bonds3

About N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide

N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 2192347) has the molecular formula C13H17BrN2O3S and a molecular weight of 361.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID2192347
Molecular FormulaC13H17BrN2O3S
Molecular Weight361.26 g/mol
Exact Mass360.01
IUPAC NameN-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C13H17BrN2O3S/c1-20(18,19)16-8-6-10(7-9-16)13(17)15-12-5-3-2-4-11(12)14/h2-5,10H,6-9H2,1H3,(H,15,17)
InChIKeyLCCHQHQRSNIYDS-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30875404
1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 2991510
1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 43040978
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
N-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 51320655
1-methylsulfonyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-4-carboxamide
CID 24603608
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate
CID 16620037
N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 45374342
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314721
N-(2-bromophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 126354038
N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 1326323

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 2192347) is N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1.
What is the InChIKey of N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is LCCHQHQRSNIYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3S/c1-20(18,19)16-8-6-10(7-9-16)13(17)15-12-5-3-2-4-11(12)14/h2-5,10H,6-9H2,1H3,(H,15,17).
What are the key properties of N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 361.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2192347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).