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

C11H6Cl3NO4S2 — CID 43235977

IUPAC4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C11H6Cl3NO4S2/c12-6-2-1-5(11(16)17)3-7(6)15-21(18,19)8-4-9(13)20-10(8)14/h1-4,15H,(H,16,17)
InChIKeySNRCFRJFBQLQSB-UHFFFAOYSA-N
MW386.67 g/mol
LogP4.21
Rot. Bonds4

About 4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid

4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid (PubChem CID 43235977) has the molecular formula C11H6Cl3NO4S2 and a molecular weight of 386.67 g/mol. Its IUPAC name is 4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
PubChem CID43235977
Molecular FormulaC11H6Cl3NO4S2
Molecular Weight386.67 g/mol
Exact Mass384.88
IUPAC Name4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C11H6Cl3NO4S2/c12-6-2-1-5(11(16)17)3-7(6)15-21(18,19)8-4-9(13)20-10(8)14/h1-4,15H,(H,16,17)
InChIKeySNRCFRJFBQLQSB-UHFFFAOYSA-N
XLogP4.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.67
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzamide
CID 34973303
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid
CID 107264953
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43090882
4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 63405367
4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid
CID 107959571
2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide
CID 18282859
2,5-dichloro-N-(4-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 114051881
4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104932565
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-5-(trifluoromethyl)benzoic acid
CID 56798482
2,5-dichloro-N-(4-chloro-2-hydroxyphenyl)thiophene-3-sulfonamide
CID 81433543
2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
CID 70138974
4-bromo-3-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
CID 103866901

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid?
The IUPAC name of 4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid (CID 43235977) is 4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid is O=C(O)c1ccc(Cl)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of 4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid?
The InChIKey is SNRCFRJFBQLQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3NO4S2/c12-6-2-1-5(11(16)17)3-7(6)15-21(18,19)8-4-9(13)20-10(8)14/h1-4,15H,(H,16,17).
What are the key properties of 4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid?
4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid has a molecular weight of 386.67 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 43235977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).