4,6-difluoro-3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine

C10H15F2N3O2S — CID 114814126

IUPAC4,6-difluoro-3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
SMILESCC(C)CNS(=O)(=O)Nc1cc(N)c(F)cc1F
InChIInChI=1S/C10H15F2N3O2S/c1-6(2)5-14-18(16,17)15-10-4-9(13)7(11)3-8(10)12/h3-4,6,14-15H,5,13H2,1-2H3
InChIKeyJBHIZDFCCRDVNL-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.45
Rot. Bonds5

About 4,6-difluoro-3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine

4,6-difluoro-3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine (PubChem CID 114814126) has the molecular formula C10H15F2N3O2S and a molecular weight of 279.31 g/mol. Its IUPAC name is 4,6-difluoro-3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4,6-difluoro-3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
PubChem CID114814126
Molecular FormulaC10H15F2N3O2S
Molecular Weight279.31 g/mol
Exact Mass279.09
IUPAC Name4,6-difluoro-3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
SMILESCC(C)CNS(=O)(=O)Nc1cc(N)c(F)cc1F
InChIInChI=1S/C10H15F2N3O2S/c1-6(2)5-14-18(16,17)15-10-4-9(13)7(11)3-8(10)12/h3-4,6,14-15H,5,13H2,1-2H3
InChIKeyJBHIZDFCCRDVNL-UHFFFAOYSA-N
XLogP1.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(2-methylpropylsulfamoylamino)phenol
CID 107697833
3-amino-4-(2-methylpropylsulfamoylamino)benzoic acid
CID 114814174
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
methyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate
CID 54952675
ethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate
CID 61456632
[2-(2-methylpropylsulfamoylamino)phenyl]methanol
CID 114815630
4-[3-fluoro-4-(2-methylpropylsulfamoylamino)phenyl]but-3-yn-1-ol
CID 114816399
5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid
CID 114814357
2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline
CID 114813800
3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
CID 114814004
N-(5-amino-2,4-difluorophenyl)pyrrolidine-1-sulfonamide
CID 43550963
2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline
CID 114813987

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine?
The IUPAC name of 4,6-difluoro-3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine (CID 114814126) is 4,6-difluoro-3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine.
What is the SMILES notation for 4,6-difluoro-3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine?
The canonical SMILES for 4,6-difluoro-3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine is CC(C)CNS(=O)(=O)Nc1cc(N)c(F)cc1F.
What is the InChIKey of 4,6-difluoro-3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine?
The InChIKey is JBHIZDFCCRDVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2S/c1-6(2)5-14-18(16,17)15-10-4-9(13)7(11)3-8(10)12/h3-4,6,14-15H,5,13H2,1-2H3.
What are the key properties of 4,6-difluoro-3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine?
4,6-difluoro-3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine has a molecular weight of 279.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine is sourced from PubChem (CID 114814126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).