4-(dipropylsulfamoyl)-3-(trifluoromethyl)benzoic acid

C14H18F3NO4S — CID 154156894

IUPAC4-(dipropylsulfamoyl)-3-(trifluoromethyl)benzoic acid
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1C(F)(F)F
InChIInChI=1S/C14H18F3NO4S/c1-3-7-18(8-4-2)23(21,22)12-6-5-10(13(19)20)9-11(12)14(15,16)17/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyQFNDVSTYXRCAEO-UHFFFAOYSA-N
MW353.36 g/mol
LogP3.21
Rot. Bonds7

About 4-(dipropylsulfamoyl)-3-(trifluoromethyl)benzoic acid

4-(dipropylsulfamoyl)-3-(trifluoromethyl)benzoic acid (PubChem CID 154156894) has the molecular formula C14H18F3NO4S and a molecular weight of 353.36 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)-3-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)-3-(trifluoromethyl)benzoic acid
PubChem CID154156894
Molecular FormulaC14H18F3NO4S
Molecular Weight353.36 g/mol
Exact Mass353.09
IUPAC Name4-(dipropylsulfamoyl)-3-(trifluoromethyl)benzoic acid
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1C(F)(F)F
InChIInChI=1S/C14H18F3NO4S/c1-3-7-18(8-4-2)23(21,22)12-6-5-10(13(19)20)9-11(12)14(15,16)17/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyQFNDVSTYXRCAEO-UHFFFAOYSA-N
XLogP3.21
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide
CID 61349925
4-[(2-amino-2-oxoethyl)-propylsulfamoyl]-3-bromobenzoic acid
CID 136544396
N-(2-bromoethyl)-N-butyl-2-(trifluoromethyl)benzenesulfonamide
CID 80669345
4-ethyl-3-[propyl(prop-2-ynyl)sulfamoyl]benzoic acid
CID 78969934
4-[2-[4-carboxy-2-(trifluoromethyl)phenyl]propan-2-yl]-3-(trifluoromethyl)benzoic acid
CID 139971015
N-(2-chloroethyl)-N-propyl-4-(trifluoromethyl)pyridine-3-sulfonamide
CID 143128434
3-fluoro-5-[2-hydroxyethyl(propyl)sulfamoyl]-4-methylbenzoic acid
CID 60951003
2-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetic acid
CID 122071240
4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide
CID 134017324
4-chloro-3-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271122
N-butylbutan-1-amine;4-chloro-3-(dibutylsulfamoyl)benzoic acid
CID 158708751
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoyl)-3-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-(dipropylsulfamoyl)-3-(trifluoromethyl)benzoic acid (CID 154156894) is 4-(dipropylsulfamoyl)-3-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-(dipropylsulfamoyl)-3-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-(dipropylsulfamoyl)-3-(trifluoromethyl)benzoic acid is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1C(F)(F)F.
What is the InChIKey of 4-(dipropylsulfamoyl)-3-(trifluoromethyl)benzoic acid?
The InChIKey is QFNDVSTYXRCAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO4S/c1-3-7-18(8-4-2)23(21,22)12-6-5-10(13(19)20)9-11(12)14(15,16)17/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,20).
What are the key properties of 4-(dipropylsulfamoyl)-3-(trifluoromethyl)benzoic acid?
4-(dipropylsulfamoyl)-3-(trifluoromethyl)benzoic acid has a molecular weight of 353.36 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoyl)-3-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 154156894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).