4-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide

C19H21BrN2O3S — CID 18160418

IUPAC4-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)C1
InChIInChI=1S/C19H21BrN2O3S/c1-14-4-3-11-22(13-14)19(23)15-5-2-6-17(12-15)21-26(24,25)18-9-7-16(20)8-10-18/h2,5-10,12,14,21H,3-4,11,13H2,1H3
InChIKeyFLDIWCSSZUHKKA-UHFFFAOYSA-N
MW437.36 g/mol
LogP4.12
Rot. Bonds4

About 4-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide

4-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 18160418) has the molecular formula C19H21BrN2O3S and a molecular weight of 437.36 g/mol. Its IUPAC name is 4-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID18160418
Molecular FormulaC19H21BrN2O3S
Molecular Weight437.36 g/mol
Exact Mass436.05
IUPAC Name4-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)C1
InChIInChI=1S/C19H21BrN2O3S/c1-14-4-3-11-22(13-14)19(23)15-5-2-6-17(12-15)21-26(24,25)18-9-7-16(20)8-10-18/h2,5-10,12,14,21H,3-4,11,13H2,1H3
InChIKeyFLDIWCSSZUHKKA-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

4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 46674523
4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 112771542
3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109065600
N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride
CID 119487809
N-(3-bromo-4-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 43001746
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(benzenesulfonamido)benzoate
CID 7247767
N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 46798331
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
(3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide
CID 92729209
1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46387322
N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 99956462

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide (CID 18160418) is 4-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide is CC1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)C1.
What is the InChIKey of 4-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is FLDIWCSSZUHKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3S/c1-14-4-3-11-22(13-14)19(23)15-5-2-6-17(12-15)21-26(24,25)18-9-7-16(20)8-10-18/h2,5-10,12,14,21H,3-4,11,13H2,1H3.
What are the key properties of 4-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
4-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide 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 4-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 18160418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).