3-(ethylsulfamoylamino)-5-(trifluoromethyl)benzoic acid

C10H11F3N2O4S — CID 114805782

IUPAC3-(ethylsulfamoylamino)-5-(trifluoromethyl)benzoic acid
SMILESCCNS(=O)(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O4S/c1-2-14-20(18,19)15-8-4-6(9(16)17)3-7(5-8)10(11,12)13/h3-5,14-15H,2H2,1H3,(H,16,17)
InChIKeySVXYEIXUADDGEQ-UHFFFAOYSA-N
MW312.27 g/mol
LogP1.67
Rot. Bonds5

About 3-(ethylsulfamoylamino)-5-(trifluoromethyl)benzoic acid

3-(ethylsulfamoylamino)-5-(trifluoromethyl)benzoic acid (PubChem CID 114805782) has the molecular formula C10H11F3N2O4S and a molecular weight of 312.27 g/mol. Its IUPAC name is 3-(ethylsulfamoylamino)-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name3-(ethylsulfamoylamino)-5-(trifluoromethyl)benzoic acid
PubChem CID114805782
Molecular FormulaC10H11F3N2O4S
Molecular Weight312.27 g/mol
Exact Mass312.04
IUPAC Name3-(ethylsulfamoylamino)-5-(trifluoromethyl)benzoic acid
SMILESCCNS(=O)(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O4S/c1-2-14-20(18,19)15-8-4-6(9(16)17)3-7(5-8)10(11,12)13/h3-5,14-15H,2H2,1H3,(H,16,17)
InChIKeySVXYEIXUADDGEQ-UHFFFAOYSA-N
XLogP1.67
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-(ethylsulfamoylamino)benzoic acid
CID 114806789
3,5-bis(trifluoromethyl)benzoic acid;ethane
CID 143967931
5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid
CID 114814430
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-5-(trifluoromethyl)benzoic acid
CID 56798482
3-[[(2S)-2-aminopentanoyl]amino]-5-(trifluoromethyl)benzoic acid
CID 103869561
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 45428652
3-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid
CID 55995395
1-[3-(propylamino)-5-(trifluoromethyl)phenyl]ethanone
CID 91437039
N-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 2805852
N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 116700910
2-(ethylsulfamoylamino)-4,5-difluorobenzoic acid
CID 114805982
2-(ethylsulfamoylamino)-5-(trifluoromethyl)benzenecarbothioamide
CID 114808520

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoylamino)-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 3-(ethylsulfamoylamino)-5-(trifluoromethyl)benzoic acid (CID 114805782) is 3-(ethylsulfamoylamino)-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 3-(ethylsulfamoylamino)-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 3-(ethylsulfamoylamino)-5-(trifluoromethyl)benzoic acid is CCNS(=O)(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(ethylsulfamoylamino)-5-(trifluoromethyl)benzoic acid?
The InChIKey is SVXYEIXUADDGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4S/c1-2-14-20(18,19)15-8-4-6(9(16)17)3-7(5-8)10(11,12)13/h3-5,14-15H,2H2,1H3,(H,16,17).
What are the key properties of 3-(ethylsulfamoylamino)-5-(trifluoromethyl)benzoic acid?
3-(ethylsulfamoylamino)-5-(trifluoromethyl)benzoic acid has a molecular weight of 312.27 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoylamino)-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 114805782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).