5-bromo-2-chloro-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]benzamide

C14H17BrClNO3S — CID 96510560

IUPAC5-bromo-2-chloro-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]benzamide
SMILESCN(C(=O)c1cc(Br)ccc1Cl)[C@@H]1CCC[C@@H]1S(C)(=O)=O
InChIInChI=1S/C14H17BrClNO3S/c1-17(12-4-3-5-13(12)21(2,19)20)14(18)10-8-9(15)6-7-11(10)16/h6-8,12-13H,3-5H2,1-2H3/t12-,13+/m1/s1
InChIKeyMMSJUVCJDFNROP-OLZOCXBDSA-N
MW394.72 g/mol
LogP3.14
Rot. Bonds3

About 5-bromo-2-chloro-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]benzamide

5-bromo-2-chloro-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]benzamide (PubChem CID 96510560) has the molecular formula C14H17BrClNO3S and a molecular weight of 394.72 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]benzamide
PubChem CID96510560
Molecular FormulaC14H17BrClNO3S
Molecular Weight394.72 g/mol
Exact Mass392.98
IUPAC Name5-bromo-2-chloro-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]benzamide
SMILESCN(C(=O)c1cc(Br)ccc1Cl)[C@@H]1CCC[C@@H]1S(C)(=O)=O
InChIInChI=1S/C14H17BrClNO3S/c1-17(12-4-3-5-13(12)21(2,19)20)14(18)10-8-9(15)6-7-11(10)16/h6-8,12-13H,3-5H2,1-2H3/t12-,13+/m1/s1
InChIKeyMMSJUVCJDFNROP-OLZOCXBDSA-N
XLogP3.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.72
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide
CID 96508504
5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide
CID 120635998
4-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]carbamoyl]benzoic acid
CID 125132908
N,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide
CID 71969741
2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide
CID 107036632
4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide
CID 102638460
5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide
CID 63316220
4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide
CID 122145136
5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607717
N-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 97085588
N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide
CID 124736707
5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid
CID 125119082

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]benzamide (CID 96510560) is 5-bromo-2-chloro-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]benzamide is CN(C(=O)c1cc(Br)ccc1Cl)[C@@H]1CCC[C@@H]1S(C)(=O)=O.
What is the InChIKey of 5-bromo-2-chloro-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]benzamide?
The InChIKey is MMSJUVCJDFNROP-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H17BrClNO3S/c1-17(12-4-3-5-13(12)21(2,19)20)14(18)10-8-9(15)6-7-11(10)16/h6-8,12-13H,3-5H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of 5-bromo-2-chloro-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]benzamide?
5-bromo-2-chloro-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]benzamide has a molecular weight of 394.72 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]benzamide is sourced from PubChem (CID 96510560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).