3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide

C13H16BrClN2O3S — CID 103826480

IUPAC3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C13H16BrClN2O3S/c1-21(19,20)17-4-2-12(3-5-17)16-13(18)9-6-10(14)8-11(15)7-9/h6-8,12H,2-5H2,1H3,(H,16,18)
InChIKeyKVUKHNVZPMCQTR-UHFFFAOYSA-N
MW395.71 g/mol
LogP2.26
Rot. Bonds3

About 3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide

3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide (PubChem CID 103826480) has the molecular formula C13H16BrClN2O3S and a molecular weight of 395.71 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
PubChem CID103826480
Molecular FormulaC13H16BrClN2O3S
Molecular Weight395.71 g/mol
Exact Mass393.98
IUPAC Name3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C13H16BrClN2O3S/c1-21(19,20)17-4-2-12(3-5-17)16-13(18)9-6-10(14)8-11(15)7-9/h6-8,12H,2-5H2,1H3,(H,16,18)
InChIKeyKVUKHNVZPMCQTR-UHFFFAOYSA-N
XLogP2.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.71
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-N-cyclopropylbenzamide
CID 110406468
2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide
CID 60734326
2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 108561587
4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871266
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide
CID 103826810
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480
3-bromo-5-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 114096125
3-bromo-5-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 110411834
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide (CID 103826480) is 3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide is CS(=O)(=O)N1CCC(NC(=O)c2cc(Cl)cc(Br)c2)CC1.
What is the InChIKey of 3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is KVUKHNVZPMCQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O3S/c1-21(19,20)17-4-2-12(3-5-17)16-13(18)9-6-10(14)8-11(15)7-9/h6-8,12H,2-5H2,1H3,(H,16,18).
What are the key properties of 3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 395.71 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 103826480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).