1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide

C10H12ClF3N2O2S — CID 106002934

IUPAC1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide
SMILESCC(CN)S(=O)(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H12ClF3N2O2S/c1-6(5-15)19(17,18)16-9-3-2-7(4-8(9)11)10(12,13)14/h2-4,6,16H,5,15H2,1H3
InChIKeyOJOBYXCQAOMBEO-UHFFFAOYSA-N
MW316.73 g/mol
LogP2.45
Rot. Bonds4

About 1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide

1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide (PubChem CID 106002934) has the molecular formula C10H12ClF3N2O2S and a molecular weight of 316.73 g/mol. Its IUPAC name is 1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide
PubChem CID106002934
Molecular FormulaC10H12ClF3N2O2S
Molecular Weight316.73 g/mol
Exact Mass316.03
IUPAC Name1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide
SMILESCC(CN)S(=O)(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H12ClF3N2O2S/c1-6(5-15)19(17,18)16-9-3-2-7(4-8(9)11)10(12,13)14/h2-4,6,16H,5,15H2,1H3
InChIKeyOJOBYXCQAOMBEO-UHFFFAOYSA-N
XLogP2.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.73
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[2-bromo-5-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 106090013
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene
CID 106003027
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 43707417
2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 139601759
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
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1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003304
N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 124682011
2-chloro-N-(2-methylbutyl)-4-(trifluoromethyl)aniline
CID 43714527
3-[2-chloro-4-(trifluoromethyl)anilino]butanoic acid
CID 55234535
(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine
CID 129407606
2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline
CID 114813987
2-chloro-N-(2-propan-2-ylsulfanylethyl)-4-(trifluoromethyl)aniline
CID 114268596

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide?
The IUPAC name of 1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide (CID 106002934) is 1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide?
The canonical SMILES for 1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide is CC(CN)S(=O)(=O)Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide?
The InChIKey is OJOBYXCQAOMBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O2S/c1-6(5-15)19(17,18)16-9-3-2-7(4-8(9)11)10(12,13)14/h2-4,6,16H,5,15H2,1H3.
What are the key properties of 1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide?
1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide has a molecular weight of 316.73 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide is sourced from PubChem (CID 106002934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).