2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide

C19H21BrN2O3S — CID 1216575

IUPAC2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br
InChIInChI=1S/C19H21BrN2O3S/c1-14-7-3-4-8-18(14)21-19(23)16-13-15(9-10-17(16)20)26(24,25)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)
InChIKeyPVXVJXTWFADBCW-UHFFFAOYSA-N
MW437.36 g/mol
LogP4.18
Rot. Bonds4

About 2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide

2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 1216575) has the molecular formula C19H21BrN2O3S and a molecular weight of 437.36 g/mol. Its IUPAC name is 2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID1216575
Molecular FormulaC19H21BrN2O3S
Molecular Weight437.36 g/mol
Exact Mass436.05
IUPAC Name2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br
InChIInChI=1S/C19H21BrN2O3S/c1-14-7-3-4-8-18(14)21-19(23)16-13-15(9-10-17(16)20)26(24,25)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)
InChIKeyPVXVJXTWFADBCW-UHFFFAOYSA-N
XLogP4.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26913737
2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26520197
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
2-bromo-N-(2-fluoro-5-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26881892
N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26538419
2-bromo-N-[2-(dimethylamino)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55647459
N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 8839499
2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26727569
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
2-bromo-5-pyrrolidin-1-ylsulfonyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55573617
N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 29200072

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide (CID 1216575) is 2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide is Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br.
What is the InChIKey of 2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is PVXVJXTWFADBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3S/c1-14-7-3-4-8-18(14)21-19(23)16-13-15(9-10-17(16)20)26(24,25)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23).
What are the key properties of 2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide?
2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 437.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1216575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).