2-(cyclopropylamino)-3-fluoro-4-methylbenzenesulfonamide

C10H13FN2O2S — CID 67530121

IUPAC2-(cyclopropylamino)-3-fluoro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(NC2CC2)c1F
InChIInChI=1S/C10H13FN2O2S/c1-6-2-5-8(16(12,14)15)10(9(6)11)13-7-3-4-7/h2,5,7,13H,3-4H2,1H3,(H2,12,14,15)
InChIKeyYUFVNCONVJCVNC-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.36
Rot. Bonds3

About 2-(cyclopropylamino)-3-fluoro-4-methylbenzenesulfonamide

2-(cyclopropylamino)-3-fluoro-4-methylbenzenesulfonamide (PubChem CID 67530121) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-fluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-fluoro-4-methylbenzenesulfonamide
PubChem CID67530121
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name2-(cyclopropylamino)-3-fluoro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(NC2CC2)c1F
InChIInChI=1S/C10H13FN2O2S/c1-6-2-5-8(16(12,14)15)10(9(6)11)13-7-3-4-7/h2,5,7,13H,3-4H2,1H3,(H2,12,14,15)
InChIKeyYUFVNCONVJCVNC-UHFFFAOYSA-N
XLogP1.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-fluoro-4-methylbenzenesulfonamide?
The IUPAC name of 2-(cyclopropylamino)-3-fluoro-4-methylbenzenesulfonamide (CID 67530121) is 2-(cyclopropylamino)-3-fluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-(cyclopropylamino)-3-fluoro-4-methylbenzenesulfonamide?
The canonical SMILES for 2-(cyclopropylamino)-3-fluoro-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)c(NC2CC2)c1F.
What is the InChIKey of 2-(cyclopropylamino)-3-fluoro-4-methylbenzenesulfonamide?
The InChIKey is YUFVNCONVJCVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c1-6-2-5-8(16(12,14)15)10(9(6)11)13-7-3-4-7/h2,5,7,13H,3-4H2,1H3,(H2,12,14,15).
What are the key properties of 2-(cyclopropylamino)-3-fluoro-4-methylbenzenesulfonamide?
2-(cyclopropylamino)-3-fluoro-4-methylbenzenesulfonamide has a molecular weight of 244.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-fluoro-4-methylbenzenesulfonamide is sourced from PubChem (CID 67530121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).