N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide

C13H16Br2N2O3S — CID 103907786

IUPACN-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)c2cc(Br)cc(Br)c2)C1
InChIInChI=1S/C13H16Br2N2O3S/c1-21(19,20)16-12-3-2-4-17(8-12)13(18)9-5-10(14)7-11(15)6-9/h5-7,12,16H,2-4,8H2,1H3
InChIKeyNMCGNNIYTCKOQW-UHFFFAOYSA-N
MW440.16 g/mol
LogP2.37
Rot. Bonds3

About N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide

N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide (PubChem CID 103907786) has the molecular formula C13H16Br2N2O3S and a molecular weight of 440.16 g/mol. Its IUPAC name is N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide
PubChem CID103907786
Molecular FormulaC13H16Br2N2O3S
Molecular Weight440.16 g/mol
Exact Mass437.92
IUPAC NameN-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)c2cc(Br)cc(Br)c2)C1
InChIInChI=1S/C13H16Br2N2O3S/c1-21(19,20)16-12-3-2-4-17(8-12)13(18)9-5-10(14)7-11(15)6-9/h5-7,12,16H,2-4,8H2,1H3
InChIKeyNMCGNNIYTCKOQW-UHFFFAOYSA-N
XLogP2.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.16
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid
CID 126773299
N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide
CID 60945770
N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184451
N-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184528
(3-bromophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 94475878
N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide
CID 113226212
N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide
CID 61107146
N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81231053
N-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 55679047
(4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124517167
N-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide
CID 51079114
N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
CID 108564444

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide (CID 103907786) is N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(C(=O)c2cc(Br)cc(Br)c2)C1.
What is the InChIKey of N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is NMCGNNIYTCKOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N2O3S/c1-21(19,20)16-12-3-2-4-17(8-12)13(18)9-5-10(14)7-11(15)6-9/h5-7,12,16H,2-4,8H2,1H3.
What are the key properties of N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide?
N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 440.16 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 103907786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).