2-bromo-N-[2-(3-fluorophenyl)cyclopropyl]-4,5-dimethoxybenzenesulfonamide

C17H17BrFNO4S — CID 71883999

IUPAC2-bromo-N-[2-(3-fluorophenyl)cyclopropyl]-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)NC2CC2c2cccc(F)c2)cc1OC
InChIInChI=1S/C17H17BrFNO4S/c1-23-15-8-13(18)17(9-16(15)24-2)25(21,22)20-14-7-12(14)10-4-3-5-11(19)6-10/h3-6,8-9,12,14,20H,7H2,1-2H3
InChIKeyGCXMTQGVRRUSEI-UHFFFAOYSA-N
MW430.30 g/mol
LogP3.44
Rot. Bonds6

About 2-bromo-N-[2-(3-fluorophenyl)cyclopropyl]-4,5-dimethoxybenzenesulfonamide

2-bromo-N-[2-(3-fluorophenyl)cyclopropyl]-4,5-dimethoxybenzenesulfonamide (PubChem CID 71883999) has the molecular formula C17H17BrFNO4S and a molecular weight of 430.30 g/mol. Its IUPAC name is 2-bromo-N-[2-(3-fluorophenyl)cyclopropyl]-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(3-fluorophenyl)cyclopropyl]-4,5-dimethoxybenzenesulfonamide
PubChem CID71883999
Molecular FormulaC17H17BrFNO4S
Molecular Weight430.30 g/mol
Exact Mass429.00
IUPAC Name2-bromo-N-[2-(3-fluorophenyl)cyclopropyl]-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)NC2CC2c2cccc(F)c2)cc1OC
InChIInChI=1S/C17H17BrFNO4S/c1-23-15-8-13(18)17(9-16(15)24-2)25(21,22)20-14-7-12(14)10-4-3-5-11(19)6-10/h3-6,8-9,12,14,20H,7H2,1-2H3
InChIKeyGCXMTQGVRRUSEI-UHFFFAOYSA-N
XLogP3.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(3-fluorophenyl)cyclopropyl]-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(3-fluorophenyl)cyclopropyl]-4,5-dimethoxybenzenesulfonamide (CID 71883999) is 2-bromo-N-[2-(3-fluorophenyl)cyclopropyl]-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(3-fluorophenyl)cyclopropyl]-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(3-fluorophenyl)cyclopropyl]-4,5-dimethoxybenzenesulfonamide is COc1cc(Br)c(S(=O)(=O)NC2CC2c2cccc(F)c2)cc1OC.
What is the InChIKey of 2-bromo-N-[2-(3-fluorophenyl)cyclopropyl]-4,5-dimethoxybenzenesulfonamide?
The InChIKey is GCXMTQGVRRUSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO4S/c1-23-15-8-13(18)17(9-16(15)24-2)25(21,22)20-14-7-12(14)10-4-3-5-11(19)6-10/h3-6,8-9,12,14,20H,7H2,1-2H3.
What are the key properties of 2-bromo-N-[2-(3-fluorophenyl)cyclopropyl]-4,5-dimethoxybenzenesulfonamide?
2-bromo-N-[2-(3-fluorophenyl)cyclopropyl]-4,5-dimethoxybenzenesulfonamide has a molecular weight of 430.30 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(3-fluorophenyl)cyclopropyl]-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 71883999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).