4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide

C10H16FN3O2S — CID 115303754

IUPAC4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
SMILESCC(C)(N)CNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C10H16FN3O2S/c1-10(2,12)6-14-9-4-3-7(5-8(9)11)17(13,15)16/h3-5,14H,6,12H2,1-2H3,(H2,13,15,16)
InChIKeyJVIJVIFDXYXIJQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.62
Rot. Bonds4

About 4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide

4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide (PubChem CID 115303754) has the molecular formula C10H16FN3O2S and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
PubChem CID115303754
Molecular FormulaC10H16FN3O2S
Molecular Weight261.32 g/mol
Exact Mass261.09
IUPAC Name4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
SMILESCC(C)(N)CNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C10H16FN3O2S/c1-10(2,12)6-14-9-4-3-7(5-8(9)11)17(13,15)16/h3-5,14H,6,12H2,1-2H3,(H2,13,15,16)
InChIKeyJVIJVIFDXYXIJQ-UHFFFAOYSA-N
XLogP0.62
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide
CID 106145750
3-fluoro-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzenesulfonamide
CID 66180002
4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
CID 64599794
4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide
CID 60965986
N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246651
4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide
CID 64693654
1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 130588833
3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide
CID 106842759
4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide
CID 106338502
3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide
CID 60964601
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide
CID 107849521

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide (CID 115303754) is 4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide is CC(C)(N)CNc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide?
The InChIKey is JVIJVIFDXYXIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2S/c1-10(2,12)6-14-9-4-3-7(5-8(9)11)17(13,15)16/h3-5,14H,6,12H2,1-2H3,(H2,13,15,16).
What are the key properties of 4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide?
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 115303754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).