4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline

C12H18F3N3O2S — CID 114803608

IUPAC4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline
SMILESCC(C)(CN)c1ccc(NS(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C12H18F3N3O2S/c1-11(2,7-16)9-3-5-10(6-4-9)18-21(19,20)17-8-12(13,14)15/h3-6,17-18H,7-8,16H2,1-2H3
InChIKeyCPFSCZKZPLVYPQ-UHFFFAOYSA-N
MW325.36 g/mol
LogP1.73
Rot. Bonds6

About 4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline

4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline (PubChem CID 114803608) has the molecular formula C12H18F3N3O2S and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline.

Molecular Properties

Compound Name4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline
PubChem CID114803608
Molecular FormulaC12H18F3N3O2S
Molecular Weight325.36 g/mol
Exact Mass325.11
IUPAC Name4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline
SMILESCC(C)(CN)c1ccc(NS(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C12H18F3N3O2S/c1-11(2,7-16)9-3-5-10(6-4-9)18-21(19,20)17-8-12(13,14)15/h3-6,17-18H,7-8,16H2,1-2H3
InChIKeyCPFSCZKZPLVYPQ-UHFFFAOYSA-N
XLogP1.73
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline
CID 114813837
4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 114808728
1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene
CID 43624625
2-[4-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanethioamide
CID 114808277
4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 107575153
6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine
CID 114808909
2-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine;hydrochloride
CID 74889721
1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone
CID 114808702
2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine
CID 114804202
2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
CID 114811374
2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine
CID 82477614
3-iodo-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 114257227

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline?
The IUPAC name of 4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline (CID 114803608) is 4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline.
What is the SMILES notation for 4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline?
The canonical SMILES for 4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline is CC(C)(CN)c1ccc(NS(=O)(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline?
The InChIKey is CPFSCZKZPLVYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2S/c1-11(2,7-16)9-3-5-10(6-4-9)18-21(19,20)17-8-12(13,14)15/h3-6,17-18H,7-8,16H2,1-2H3.
What are the key properties of 4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline?
4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline has a molecular weight of 325.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline is sourced from PubChem (CID 114803608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).