3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide

C14H22F2N2O2S — CID 107343293

IUPAC3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C14H22F2N2O2S/c1-9(2)5-4-6-10(3)18-21(19,20)12-8-7-11(15)14(17)13(12)16/h7-10,18H,4-6,17H2,1-3H3
InChIKeySXMFGSXKSWGSJK-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.04
Rot. Bonds7

About 3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide

3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide (PubChem CID 107343293) has the molecular formula C14H22F2N2O2S and a molecular weight of 320.41 g/mol. Its IUPAC name is 3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
PubChem CID107343293
Molecular FormulaC14H22F2N2O2S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C14H22F2N2O2S/c1-9(2)5-4-6-10(3)18-21(19,20)12-8-7-11(15)14(17)13(12)16/h7-10,18H,4-6,17H2,1-3H3
InChIKeySXMFGSXKSWGSJK-UHFFFAOYSA-N
XLogP3.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide
CID 107343405
3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 107343096
2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61108154
2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61110431
2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 107343391
3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 107343624
2,6-difluoro-3-(hexan-2-ylsulfamoyl)benzoic acid
CID 62199651
5-amino-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide
CID 61108156
4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 106996805
4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470980
2-amino-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
CID 62153139
3-amino-2,4-difluoro-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 107343857

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide (CID 107343293) is 3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide is CC(C)CCCC(C)NS(=O)(=O)c1ccc(F)c(N)c1F.
What is the InChIKey of 3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide?
The InChIKey is SXMFGSXKSWGSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2S/c1-9(2)5-4-6-10(3)18-21(19,20)12-8-7-11(15)14(17)13(12)16/h7-10,18H,4-6,17H2,1-3H3.
What are the key properties of 3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide?
3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide is sourced from PubChem (CID 107343293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).