1-amino-N-(2,6-difluoro-3-methylphenyl)butane-2-sulfonamide

C11H16F2N2O2S — CID 82818236

IUPAC1-amino-N-(2,6-difluoro-3-methylphenyl)butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)Nc1c(F)ccc(C)c1F
InChIInChI=1S/C11H16F2N2O2S/c1-3-8(6-14)18(16,17)15-11-9(12)5-4-7(2)10(11)13/h4-5,8,15H,3,6,14H2,1-2H3
InChIKeyMDAJHTLAGLKCKA-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.75
Rot. Bonds5

About 1-amino-N-(2,6-difluoro-3-methylphenyl)butane-2-sulfonamide

1-amino-N-(2,6-difluoro-3-methylphenyl)butane-2-sulfonamide (PubChem CID 82818236) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-amino-N-(2,6-difluoro-3-methylphenyl)butane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-(2,6-difluoro-3-methylphenyl)butane-2-sulfonamide
PubChem CID82818236
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC Name1-amino-N-(2,6-difluoro-3-methylphenyl)butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)Nc1c(F)ccc(C)c1F
InChIInChI=1S/C11H16F2N2O2S/c1-3-8(6-14)18(16,17)15-11-9(12)5-4-7(2)10(11)13/h4-5,8,15H,3,6,14H2,1-2H3
InChIKeyMDAJHTLAGLKCKA-UHFFFAOYSA-N
XLogP1.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,6-difluoro-3-methylphenyl)butane-2-sulfonamide?
The IUPAC name of 1-amino-N-(2,6-difluoro-3-methylphenyl)butane-2-sulfonamide (CID 82818236) is 1-amino-N-(2,6-difluoro-3-methylphenyl)butane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-(2,6-difluoro-3-methylphenyl)butane-2-sulfonamide?
The canonical SMILES for 1-amino-N-(2,6-difluoro-3-methylphenyl)butane-2-sulfonamide is CCC(CN)S(=O)(=O)Nc1c(F)ccc(C)c1F.
What is the InChIKey of 1-amino-N-(2,6-difluoro-3-methylphenyl)butane-2-sulfonamide?
The InChIKey is MDAJHTLAGLKCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-3-8(6-14)18(16,17)15-11-9(12)5-4-7(2)10(11)13/h4-5,8,15H,3,6,14H2,1-2H3.
What are the key properties of 1-amino-N-(2,6-difluoro-3-methylphenyl)butane-2-sulfonamide?
1-amino-N-(2,6-difluoro-3-methylphenyl)butane-2-sulfonamide has a molecular weight of 278.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,6-difluoro-3-methylphenyl)butane-2-sulfonamide is sourced from PubChem (CID 82818236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).