4-bromo-N-(2,2-dimethylpropyl)-3-piperidin-1-ylsulfonylbenzamide

C17H25BrN2O3S — CID 11683132

IUPAC4-bromo-N-(2,2-dimethylpropyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)(C)CNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H25BrN2O3S/c1-17(2,3)12-19-16(21)13-7-8-14(18)15(11-13)24(22,23)20-9-5-4-6-10-20/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,19,21)
InChIKeyXRHHHGBXPRQTFC-UHFFFAOYSA-N
MW417.37 g/mol
LogP3.40
Rot. Bonds4

About 4-bromo-N-(2,2-dimethylpropyl)-3-piperidin-1-ylsulfonylbenzamide

4-bromo-N-(2,2-dimethylpropyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 11683132) has the molecular formula C17H25BrN2O3S and a molecular weight of 417.37 g/mol. Its IUPAC name is 4-bromo-N-(2,2-dimethylpropyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2,2-dimethylpropyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID11683132
Molecular FormulaC17H25BrN2O3S
Molecular Weight417.37 g/mol
Exact Mass416.08
IUPAC Name4-bromo-N-(2,2-dimethylpropyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)(C)CNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H25BrN2O3S/c1-17(2,3)12-19-16(21)13-7-8-14(18)15(11-13)24(22,23)20-9-5-4-6-10-20/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,19,21)
InChIKeyXRHHHGBXPRQTFC-UHFFFAOYSA-N
XLogP3.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(azepan-1-ylsulfonyl)-4-bromobenzoyl]amino]benzoate
CID 2173877
4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1127122
4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1101775
N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349269
2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 4104639
4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 78856177
4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1341863
3-[(4-bromo-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 5128837
4-bromo-3-[cyclohexa-1,5-dien-1-ylmethyl(methyl)sulfamoyl]-N-(2,2-dimethylpropyl)benzamide
CID 143218526
4-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2203626
3-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 7357086
N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8886322

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2-dimethylpropyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-bromo-N-(2,2-dimethylpropyl)-3-piperidin-1-ylsulfonylbenzamide (CID 11683132) is 4-bromo-N-(2,2-dimethylpropyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-bromo-N-(2,2-dimethylpropyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-bromo-N-(2,2-dimethylpropyl)-3-piperidin-1-ylsulfonylbenzamide is CC(C)(C)CNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-bromo-N-(2,2-dimethylpropyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is XRHHHGBXPRQTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O3S/c1-17(2,3)12-19-16(21)13-7-8-14(18)15(11-13)24(22,23)20-9-5-4-6-10-20/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,19,21).
What are the key properties of 4-bromo-N-(2,2-dimethylpropyl)-3-piperidin-1-ylsulfonylbenzamide?
4-bromo-N-(2,2-dimethylpropyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 417.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2-dimethylpropyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 11683132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).