3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-5-(trifluoromethyl)benzoic acid

C12H6Cl2F3NO4S2 — CID 56798482

IUPAC3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C12H6Cl2F3NO4S2/c13-9-4-8(10(14)23-9)24(21,22)18-7-2-5(11(19)20)1-6(3-7)12(15,16)17/h1-4,18H,(H,19,20)
InChIKeyJLJUAUCFCXITJL-UHFFFAOYSA-N
MW420.22 g/mol
LogP4.57
Rot. Bonds4

About 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-5-(trifluoromethyl)benzoic acid

3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-5-(trifluoromethyl)benzoic acid (PubChem CID 56798482) has the molecular formula C12H6Cl2F3NO4S2 and a molecular weight of 420.22 g/mol. Its IUPAC name is 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-5-(trifluoromethyl)benzoic acid
PubChem CID56798482
Molecular FormulaC12H6Cl2F3NO4S2
Molecular Weight420.22 g/mol
Exact Mass418.91
IUPAC Name3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C12H6Cl2F3NO4S2/c13-9-4-8(10(14)23-9)24(21,22)18-7-2-5(11(19)20)1-6(3-7)12(15,16)17/h1-4,18H,(H,19,20)
InChIKeyJLJUAUCFCXITJL-UHFFFAOYSA-N
XLogP4.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.22
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid
CID 55995395
4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43235977
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid
CID 107264953
3-(ethylsulfamoylamino)-5-(trifluoromethyl)benzoic acid
CID 114805782
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43090882
2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide
CID 64781655
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide
CID 43344174
N-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 24656569
2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 65345578
N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide
CID 25022575
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid
CID 114285508
N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide
CID 29099572

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-5-(trifluoromethyl)benzoic acid (CID 56798482) is 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-5-(trifluoromethyl)benzoic acid is O=C(O)c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-5-(trifluoromethyl)benzoic acid?
The InChIKey is JLJUAUCFCXITJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3NO4S2/c13-9-4-8(10(14)23-9)24(21,22)18-7-2-5(11(19)20)1-6(3-7)12(15,16)17/h1-4,18H,(H,19,20).
What are the key properties of 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-5-(trifluoromethyl)benzoic acid?
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-5-(trifluoromethyl)benzoic acid has a molecular weight of 420.22 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 56798482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).