N-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide

C12H16BrFN2O2S — CID 104779838

IUPACN-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCNCC1)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C12H16BrFN2O2S/c13-11-7-10(1-2-12(11)14)16-19(17,18)8-9-3-5-15-6-4-9/h1-2,7,9,15-16H,3-6,8H2
InChIKeyIAJDRYYRSOENIU-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.33
Rot. Bonds4

About N-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide

N-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide (PubChem CID 104779838) has the molecular formula C12H16BrFN2O2S and a molecular weight of 351.24 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide
PubChem CID104779838
Molecular FormulaC12H16BrFN2O2S
Molecular Weight351.24 g/mol
Exact Mass350.01
IUPAC NameN-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCNCC1)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C12H16BrFN2O2S/c13-11-7-10(1-2-12(11)14)16-19(17,18)8-9-3-5-15-6-4-9/h1-2,7,9,15-16H,3-6,8H2
InChIKeyIAJDRYYRSOENIU-UHFFFAOYSA-N
XLogP2.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 65431066
N-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide
CID 107575670
N-(3-bromo-4-fluorophenyl)ethanesulfonamide
CID 104779628
N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 115870611
N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide
CID 113452141
1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide
CID 82795263
N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide
CID 79767508
N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892291
N-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide
CID 107613659
N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892692
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide
CID 106078254
N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide
CID 104779607

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide (CID 104779838) is N-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide is O=S(=O)(CC1CCNCC1)Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is IAJDRYYRSOENIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2S/c13-11-7-10(1-2-12(11)14)16-19(17,18)8-9-3-5-15-6-4-9/h1-2,7,9,15-16H,3-6,8H2.
What are the key properties of N-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide?
N-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 351.24 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 104779838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).