2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide

C10H6Cl2FNO3S2 — CID 64781655

IUPAC2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(F)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H6Cl2FNO3S2/c11-9-4-8(10(12)18-9)19(16,17)14-5-1-2-7(15)6(13)3-5/h1-4,14-15H
InChIKeyTWMCRCTXJYRVIO-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.70
Rot. Bonds3

About 2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide

2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide (PubChem CID 64781655) has the molecular formula C10H6Cl2FNO3S2 and a molecular weight of 342.20 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide
PubChem CID64781655
Molecular FormulaC10H6Cl2FNO3S2
Molecular Weight342.20 g/mol
Exact Mass340.92
IUPAC Name2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(F)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H6Cl2FNO3S2/c11-9-4-8(10(12)18-9)19(16,17)14-5-1-2-7(15)6(13)3-5/h1-4,14-15H
InChIKeyTWMCRCTXJYRVIO-UHFFFAOYSA-N
XLogP3.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604417
2,5-dichloro-N-(4-chloro-2-hydroxyphenyl)thiophene-3-sulfonamide
CID 81433543
N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide
CID 3600344
5-bromo-N-(3-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 64782203
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide
CID 43344174
2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide
CID 65030855
2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781653
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid
CID 107264953
N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide
CID 29099572
2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide
CID 18289175
N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604989
5,6-dichloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 64782411

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide (CID 64781655) is 2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide is O=S(=O)(Nc1ccc(O)c(F)c1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide?
The InChIKey is TWMCRCTXJYRVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FNO3S2/c11-9-4-8(10(12)18-9)19(16,17)14-5-1-2-7(15)6(13)3-5/h1-4,14-15H.
What are the key properties of 2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide has a molecular weight of 342.20 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 64781655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).