2-bromo-4,6-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide

C14H19BrF2N2O2S — CID 8005361

IUPAC2-bromo-4,6-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
SMILESCC(C)N1CCC(NS(=O)(=O)c2c(F)cc(F)cc2Br)CC1
InChIInChI=1S/C14H19BrF2N2O2S/c1-9(2)19-5-3-11(4-6-19)18-22(20,21)14-12(15)7-10(16)8-13(14)17/h7-9,11,18H,3-6H2,1-2H3
InChIKeyBHQGGFHULDQWCM-UHFFFAOYSA-N
MW397.29 g/mol
LogP2.88
Rot. Bonds4

About 2-bromo-4,6-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide

2-bromo-4,6-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide (PubChem CID 8005361) has the molecular formula C14H19BrF2N2O2S and a molecular weight of 397.29 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
PubChem CID8005361
Molecular FormulaC14H19BrF2N2O2S
Molecular Weight397.29 g/mol
Exact Mass396.03
IUPAC Name2-bromo-4,6-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
SMILESCC(C)N1CCC(NS(=O)(=O)c2c(F)cc(F)cc2Br)CC1
InChIInChI=1S/C14H19BrF2N2O2S/c1-9(2)19-5-3-11(4-6-19)18-22(20,21)14-12(15)7-10(16)8-13(14)17/h7-9,11,18H,3-6H2,1-2H3
InChIKeyBHQGGFHULDQWCM-UHFFFAOYSA-N
XLogP2.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide (CID 8005361) is 2-bromo-4,6-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide is CC(C)N1CCC(NS(=O)(=O)c2c(F)cc(F)cc2Br)CC1.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is BHQGGFHULDQWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF2N2O2S/c1-9(2)19-5-3-11(4-6-19)18-22(20,21)14-12(15)7-10(16)8-13(14)17/h7-9,11,18H,3-6H2,1-2H3.
What are the key properties of 2-bromo-4,6-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide?
2-bromo-4,6-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 397.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 8005361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).