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

C10H7ClN2O5S2 — CID 10246315

IUPAC5-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)cc2)sc1Cl
InChIInChI=1S/C10H7ClN2O5S2/c11-10-8(13(15)16)5-9(19-10)20(17,18)12-6-1-3-7(14)4-2-6/h1-5,12,14H
InChIKeyANAUQADRYCCPIX-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.82
Rot. Bonds4

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

5-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide (PubChem CID 10246315) has the molecular formula C10H7ClN2O5S2 and a molecular weight of 334.76 g/mol. Its IUPAC name is 5-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide
PubChem CID10246315
Molecular FormulaC10H7ClN2O5S2
Molecular Weight334.76 g/mol
Exact Mass333.95
IUPAC Name5-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)cc2)sc1Cl
InChIInChI=1S/C10H7ClN2O5S2/c11-10-8(13(15)16)5-9(19-10)20(17,18)12-6-1-3-7(14)4-2-6/h1-5,12,14H
InChIKeyANAUQADRYCCPIX-UHFFFAOYSA-N
XLogP2.82
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.82
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

N-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 112729813
5-chloro-N-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide
CID 80735145
N-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 107612754
N-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 104777143
5-chloro-N-(5-chloro-2-fluorophenyl)-4-nitrothiophene-2-sulfonamide
CID 112729858
5-chloro-N-(2,5-dibromophenyl)-4-nitrothiophene-2-sulfonamide
CID 80735740
5-chloro-N-(2-iodoethyl)-4-nitrothiophene-2-sulfonamide
CID 106442151
5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide
CID 116794914
5-chloro-4-nitrothiophene-2-sulfonic acid;silver
CID 76602645
5-chloro-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide
CID 80742638
N-(2-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80735629
N-(6-bromo-2-pyridinyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742323

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide (CID 10246315) is 5-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)cc2)sc1Cl.
What is the InChIKey of 5-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is ANAUQADRYCCPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O5S2/c11-10-8(13(15)16)5-9(19-10)20(17,18)12-6-1-3-7(14)4-2-6/h1-5,12,14H.
What are the key properties of 5-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide?
5-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 334.76 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 10246315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).