2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide

C19H21BrN2O3S — CID 1186574

IUPAC2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)CC1
InChIInChI=1S/C19H21BrN2O3S/c1-14-10-12-22(13-11-14)26(24,25)16-8-6-15(7-9-16)21-19(23)17-4-2-3-5-18(17)20/h2-9,14H,10-13H2,1H3,(H,21,23)
InChIKeyAFCCEOWGIXZVGV-UHFFFAOYSA-N
MW437.36 g/mol
LogP4.12
Rot. Bonds4

About 2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide

2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide (PubChem CID 1186574) has the molecular formula C19H21BrN2O3S and a molecular weight of 437.36 g/mol. Its IUPAC name is 2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
PubChem CID1186574
Molecular FormulaC19H21BrN2O3S
Molecular Weight437.36 g/mol
Exact Mass436.05
IUPAC Name2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)CC1
InChIInChI=1S/C19H21BrN2O3S/c1-14-10-12-22(13-11-14)26(24,25)16-8-6-15(7-9-16)21-19(23)17-4-2-3-5-18(17)20/h2-9,14H,10-13H2,1H3,(H,21,23)
InChIKeyAFCCEOWGIXZVGV-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyethoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17355372
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 26187503
2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide
CID 28536842
2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 9492798
N-(4-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4193185
2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 4942049
2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311381
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
5-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-phenylethoxy)benzamide
CID 17046134
2-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-nitrobenzamide
CID 26862516
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 18274530

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide (CID 1186574) is 2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)CC1.
What is the InChIKey of 2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is AFCCEOWGIXZVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3S/c1-14-10-12-22(13-11-14)26(24,25)16-8-6-15(7-9-16)21-19(23)17-4-2-3-5-18(17)20/h2-9,14H,10-13H2,1H3,(H,21,23).
What are the key properties of 2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 437.36 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 1186574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).