5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid

C11H14F3NO4S2 — CID 60951577

IUPAC5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C11H14F3NO4S2/c1-2-3-4-15(7-11(12,13)14)21(18,19)9-5-8(6-20-9)10(16)17/h5-6H,2-4,7H2,1H3,(H,16,17)
InChIKeySQMNDTJMFRAHNY-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.80
Rot. Bonds7

About 5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid

5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 60951577) has the molecular formula C11H14F3NO4S2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID60951577
Molecular FormulaC11H14F3NO4S2
Molecular Weight345.36 g/mol
Exact Mass345.03
IUPAC Name5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C11H14F3NO4S2/c1-2-3-4-15(7-11(12,13)14)21(18,19)9-5-8(6-20-9)10(16)17/h5-6H,2-4,7H2,1H3,(H,16,17)
InChIKeySQMNDTJMFRAHNY-UHFFFAOYSA-N
XLogP2.80
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[ethyl(2-methylbutyl)sulfamoyl]thiophene-3-carboxylic acid
CID 79477660
5-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 112657971
5-[methyl(pent-4-enyl)sulfamoyl]thiophene-3-carboxylic acid
CID 113437786
4-amino-N,N-dibutylthiophene-2-sulfonamide
CID 61301508
5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 45298932
2-[(4-aminothiophen-2-yl)sulfonyl-butylamino]acetamide
CID 61299792
4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65370094
4-[butyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-2-carboxylic acid
CID 119181552
5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 61066900
5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
CID 64510074
5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
CID 104656510
N-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide
CID 62223262

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid (CID 60951577) is 5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid is CCCCN(CC(F)(F)F)S(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is SQMNDTJMFRAHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO4S2/c1-2-3-4-15(7-11(12,13)14)21(18,19)9-5-8(6-20-9)10(16)17/h5-6H,2-4,7H2,1H3,(H,16,17).
What are the key properties of 5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 60951577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).