4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide

C12H15BrFNO2S — CID 103737613

IUPAC4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide
SMILESCCC1(CNS(=O)(=O)c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C12H15BrFNO2S/c1-2-12(5-6-12)8-15-18(16,17)9-3-4-10(13)11(14)7-9/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyILRXBSAJJXPYBK-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.06
Rot. Bonds5

About 4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide

4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide (PubChem CID 103737613) has the molecular formula C12H15BrFNO2S and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide
PubChem CID103737613
Molecular FormulaC12H15BrFNO2S
Molecular Weight336.23 g/mol
Exact Mass335.00
IUPAC Name4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide
SMILESCCC1(CNS(=O)(=O)c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C12H15BrFNO2S/c1-2-12(5-6-12)8-15-18(16,17)9-3-4-10(13)11(14)7-9/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyILRXBSAJJXPYBK-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromo-N-propylbenzenesulfonamide
CID 77027
4-Bromo-N-isopropylbenzenesulphonamide
CID 121253
Benzenesulfonamide, p-bromo-N-ethyl-
CID 74803
Benzenesulfonamide, p-bromo-N-butyl-
CID 121254
Benzenesulfonamide, p-bromo-N-isobutyl-
CID 101309
2-bromo-N-butyl-4-fluorobenzenesulfonamide
CID 47257452
4-bromo-N-(2-cyanopropyl)-3-fluorobenzenesulfonamide
CID 71979554
4-bromo-N-(2-fluoropropyl)-2-methylbenzenesulfonamide
CID 177381772
4-bromo-N-cyclopropylbenzenesulfonamide
CID 744748
2-bromo-N-cyclopropyl-4-fluorobenzene-1-sulfonamide
CID 60824373
4-bromo-N-(2-fluoropropyl)benzenesulfonamide
CID 46939178
4-bromo-N-(2-fluoro-2-methylpropyl)benzenesulfonamide
CID 164683724

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide (CID 103737613) is 4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide is CCC1(CNS(=O)(=O)c2ccc(Br)c(F)c2)CC1.
What is the InChIKey of 4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide?
The InChIKey is ILRXBSAJJXPYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2S/c1-2-12(5-6-12)8-15-18(16,17)9-3-4-10(13)11(14)7-9/h3-4,7,15H,2,5-6,8H2,1H3.
What are the key properties of 4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide?
4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide has a molecular weight of 336.23 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103737613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).