3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid

C14H14N2O5S2 — CID 6503094

IUPAC3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
SMILESCN(C)S(=O)(=O)c1csc(C(=O)Nc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C14H14N2O5S2/c1-16(2)23(20,21)11-7-12(22-8-11)13(17)15-10-5-3-4-9(6-10)14(18)19/h3-8H,1-2H3,(H,15,17)(H,18,19)
InChIKeyWIYZMUBESMAIMB-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.95
Rot. Bonds5

About 3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid

3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid (PubChem CID 6503094) has the molecular formula C14H14N2O5S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
PubChem CID6503094
Molecular FormulaC14H14N2O5S2
Molecular Weight354.41 g/mol
Exact Mass354.03
IUPAC Name3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
SMILESCN(C)S(=O)(=O)c1csc(C(=O)Nc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C14H14N2O5S2/c1-16(2)23(20,21)11-7-12(22-8-11)13(17)15-10-5-3-4-9(6-10)14(18)19/h3-8H,1-2H3,(H,15,17)(H,18,19)
InChIKeyWIYZMUBESMAIMB-UHFFFAOYSA-N
XLogP1.95
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylsulfamoyl)-N-(2-methylphenyl)thiophene-2-carboxamide
CID 6503064
4-[ethyl(methyl)sulfamoyl]-N-(3-fluorophenyl)thiophene-2-carboxamide
CID 6503172
4-[ethyl(methyl)sulfamoyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 6503155
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 6503209
4-(dimethylsulfamoyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide
CID 6503057
3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid
CID 6504149
N-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide
CID 6503076
N-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide
CID 78949623
N-(3-bromophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2221562
4-(dimethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide
CID 6503102
N-(2,5-dichlorophenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide
CID 6503075
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 2676546

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid?
The IUPAC name of 3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid (CID 6503094) is 3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid is CN(C)S(=O)(=O)c1csc(C(=O)Nc2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid?
The InChIKey is WIYZMUBESMAIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S2/c1-16(2)23(20,21)11-7-12(22-8-11)13(17)15-10-5-3-4-9(6-10)14(18)19/h3-8H,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid?
3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid has a molecular weight of 354.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 6503094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).