5-chloro-N-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide

C10H6Cl2N2O5S2 — CID 80735145

IUPAC5-chloro-N-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)sc1Cl
InChIInChI=1S/C10H6Cl2N2O5S2/c11-6-3-5(1-2-8(6)15)13-21(18,19)9-4-7(14(16)17)10(12)20-9/h1-4,13,15H
InChIKeyGWDOKCUAFLONBE-UHFFFAOYSA-N
MW369.21 g/mol
LogP3.47
Rot. Bonds4

About 5-chloro-N-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide

5-chloro-N-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide (PubChem CID 80735145) has the molecular formula C10H6Cl2N2O5S2 and a molecular weight of 369.21 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide
PubChem CID80735145
Molecular FormulaC10H6Cl2N2O5S2
Molecular Weight369.21 g/mol
Exact Mass367.91
IUPAC Name5-chloro-N-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)sc1Cl
InChIInChI=1S/C10H6Cl2N2O5S2/c11-6-3-5(1-2-8(6)15)13-21(18,19)9-4-7(14(16)17)10(12)20-9/h1-4,13,15H
InChIKeyGWDOKCUAFLONBE-UHFFFAOYSA-N
XLogP3.47
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide
CID 10246315
N-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 107612754
N-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 112729813
N-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 104777143
N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzenesulfonamide
CID 3397659
5-amino-N-(4-bromo-3-chlorophenyl)-4-nitrothiophene-2-sulfonamide
CID 107616503
5-chloro-N-(5-chloro-2-fluorophenyl)-4-nitrothiophene-2-sulfonamide
CID 112729858
N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide
CID 18225962
5-chloro-N-(2,5-dibromophenyl)-4-nitrothiophene-2-sulfonamide
CID 80735740
5-chloro-4-nitrothiophene-2-sulfonamide
CID 2735782
N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106272309
5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide
CID 116794914

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide (CID 80735145) is 5-chloro-N-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)sc1Cl.
What is the InChIKey of 5-chloro-N-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is GWDOKCUAFLONBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O5S2/c11-6-3-5(1-2-8(6)15)13-21(18,19)9-4-7(14(16)17)10(12)20-9/h1-4,13,15H.
What are the key properties of 5-chloro-N-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide?
5-chloro-N-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 369.21 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80735145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).