4-(2-fluoropropylamino)benzenesulfonamide

C9H13FN2O2S — CID 71578980

IUPAC4-(2-fluoropropylamino)benzenesulfonamide
SMILESCC(F)CNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H13FN2O2S/c1-7(10)6-12-8-2-4-9(5-3-8)15(11,13)14/h2-5,7,12H,6H2,1H3,(H2,11,13,14)
InChIKeySOUNAOSCBCINMZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.10
Rot. Bonds4

About 4-(2-fluoropropylamino)benzenesulfonamide

4-(2-fluoropropylamino)benzenesulfonamide (PubChem CID 71578980) has the molecular formula C9H13FN2O2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(2-fluoropropylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-fluoropropylamino)benzenesulfonamide
PubChem CID71578980
Molecular FormulaC9H13FN2O2S
Molecular Weight232.28 g/mol
Exact Mass232.07
IUPAC Name4-(2-fluoropropylamino)benzenesulfonamide
SMILESCC(F)CNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H13FN2O2S/c1-7(10)6-12-8-2-4-9(5-3-8)15(11,13)14/h2-5,7,12H,6H2,1H3,(H2,11,13,14)
InChIKeySOUNAOSCBCINMZ-UHFFFAOYSA-N
XLogP1.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropylamino)benzenesulfonamide?
The IUPAC name of 4-(2-fluoropropylamino)benzenesulfonamide (CID 71578980) is 4-(2-fluoropropylamino)benzenesulfonamide.
What is the SMILES notation for 4-(2-fluoropropylamino)benzenesulfonamide?
The canonical SMILES for 4-(2-fluoropropylamino)benzenesulfonamide is CC(F)CNc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(2-fluoropropylamino)benzenesulfonamide?
The InChIKey is SOUNAOSCBCINMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2S/c1-7(10)6-12-8-2-4-9(5-3-8)15(11,13)14/h2-5,7,12H,6H2,1H3,(H2,11,13,14).
What are the key properties of 4-(2-fluoropropylamino)benzenesulfonamide?
4-(2-fluoropropylamino)benzenesulfonamide has a molecular weight of 232.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropylamino)benzenesulfonamide is sourced from PubChem (CID 71578980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).