4-bromo-N-cyclopropyl-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide

C17H23BrN2O3S — CID 55654688

IUPAC4-bromo-N-cyclopropyl-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCCC1CCCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C1
InChIInChI=1S/C17H23BrN2O3S/c1-2-12-4-3-9-20(11-12)17(21)15-10-14(7-8-16(15)18)24(22,23)19-13-5-6-13/h7-8,10,12-13,19H,2-6,9,11H2,1H3
InChIKeyHUNXNPPXLAJXPY-UHFFFAOYSA-N
MW415.35 g/mol
LogP3.15
Rot. Bonds5

About 4-bromo-N-cyclopropyl-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide

4-bromo-N-cyclopropyl-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 55654688) has the molecular formula C17H23BrN2O3S and a molecular weight of 415.35 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID55654688
Molecular FormulaC17H23BrN2O3S
Molecular Weight415.35 g/mol
Exact Mass414.06
IUPAC Name4-bromo-N-cyclopropyl-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCCC1CCCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C1
InChIInChI=1S/C17H23BrN2O3S/c1-2-12-4-3-9-20(11-12)17(21)15-10-14(7-8-16(15)18)24(22,23)19-13-5-6-13/h7-8,10,12-13,19H,2-6,9,11H2,1H3
InChIKeyHUNXNPPXLAJXPY-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-cyclopropyl-3-[(3R)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 52908652
4-bromo-N-cyclopropyl-3-[(3S)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 52908654
N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119490233
4-bromo-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 126768787
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950
2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43216879
3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 55654984
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide
CID 119594513
4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide
CID 119379774
(2-bromo-5-methylphenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 81117928
3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 55654720
(2-bromo-5-nitrophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113253892

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-cyclopropyl-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide (CID 55654688) is 4-bromo-N-cyclopropyl-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-cyclopropyl-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-cyclopropyl-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide is CCC1CCCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C1.
What is the InChIKey of 4-bromo-N-cyclopropyl-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is HUNXNPPXLAJXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O3S/c1-2-12-4-3-9-20(11-12)17(21)15-10-14(7-8-16(15)18)24(22,23)19-13-5-6-13/h7-8,10,12-13,19H,2-6,9,11H2,1H3.
What are the key properties of 4-bromo-N-cyclopropyl-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide?
4-bromo-N-cyclopropyl-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 415.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropyl-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 55654688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).