2-(cyclohexylmethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid

C15H19F3N2O4S — CID 154253668

IUPAC2-(cyclohexylmethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid
SMILESNS(=O)(=O)c1cc(C(=O)O)c(NCC2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O4S/c16-15(17,18)11-7-12(20-8-9-4-2-1-3-5-9)10(14(21)22)6-13(11)25(19,23)24/h6-7,9,20H,1-5,8H2,(H,21,22)(H2,19,23,24)
InChIKeyJKUJTMHYUWNHAN-UHFFFAOYSA-N
MW380.39 g/mol
LogP3.04
Rot. Bonds5

About 2-(cyclohexylmethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid

2-(cyclohexylmethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid (PubChem CID 154253668) has the molecular formula C15H19F3N2O4S and a molecular weight of 380.39 g/mol. Its IUPAC name is 2-(cyclohexylmethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-(cyclohexylmethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid
PubChem CID154253668
Molecular FormulaC15H19F3N2O4S
Molecular Weight380.39 g/mol
Exact Mass380.10
IUPAC Name2-(cyclohexylmethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid
SMILESNS(=O)(=O)c1cc(C(=O)O)c(NCC2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O4S/c16-15(17,18)11-7-12(20-8-9-4-2-1-3-5-9)10(14(21)22)6-13(11)25(19,23)24/h6-7,9,20H,1-5,8H2,(H,21,22)(H2,19,23,24)
InChIKeyJKUJTMHYUWNHAN-UHFFFAOYSA-N
XLogP3.04
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-(cyclohexylmethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid (CID 154253668) is 2-(cyclohexylmethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-(cyclohexylmethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-(cyclohexylmethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid is NS(=O)(=O)c1cc(C(=O)O)c(NCC2CCCCC2)cc1C(F)(F)F.
What is the InChIKey of 2-(cyclohexylmethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid?
The InChIKey is JKUJTMHYUWNHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O4S/c16-15(17,18)11-7-12(20-8-9-4-2-1-3-5-9)10(14(21)22)6-13(11)25(19,23)24/h6-7,9,20H,1-5,8H2,(H,21,22)(H2,19,23,24).
What are the key properties of 2-(cyclohexylmethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid?
2-(cyclohexylmethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid has a molecular weight of 380.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 154253668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).