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

C10H5Cl2FN2O4S2 — CID 112729858

IUPAC5-chloro-N-(5-chloro-2-fluorophenyl)-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2F)sc1Cl
InChIInChI=1S/C10H5Cl2FN2O4S2/c11-5-1-2-6(13)7(3-5)14-21(18,19)9-4-8(15(16)17)10(12)20-9/h1-4,14H
InChIKeyKXUIWTUDKIIBFR-UHFFFAOYSA-N
MW371.20 g/mol
LogP3.90
Rot. Bonds4

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

5-chloro-N-(5-chloro-2-fluorophenyl)-4-nitrothiophene-2-sulfonamide (PubChem CID 112729858) has the molecular formula C10H5Cl2FN2O4S2 and a molecular weight of 371.20 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-fluorophenyl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-fluorophenyl)-4-nitrothiophene-2-sulfonamide
PubChem CID112729858
Molecular FormulaC10H5Cl2FN2O4S2
Molecular Weight371.20 g/mol
Exact Mass369.91
IUPAC Name5-chloro-N-(5-chloro-2-fluorophenyl)-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2F)sc1Cl
InChIInChI=1S/C10H5Cl2FN2O4S2/c11-5-1-2-6(13)7(3-5)14-21(18,19)9-4-8(15(16)17)10(12)20-9/h1-4,14H
InChIKeyKXUIWTUDKIIBFR-UHFFFAOYSA-N
XLogP3.90
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 104777143
N-(2-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80735629
N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide
CID 4793013
5-chloro-N-(2,5-dibromophenyl)-4-nitrothiophene-2-sulfonamide
CID 80735740
5-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide
CID 10246315
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
5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide
CID 116794914
N-(6-bromo-2-pyridinyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742323
5-chloro-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide
CID 80742638
5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide
CID 80742265

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-fluorophenyl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(5-chloro-2-fluorophenyl)-4-nitrothiophene-2-sulfonamide (CID 112729858) is 5-chloro-N-(5-chloro-2-fluorophenyl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-fluorophenyl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(5-chloro-2-fluorophenyl)-4-nitrothiophene-2-sulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2F)sc1Cl.
What is the InChIKey of 5-chloro-N-(5-chloro-2-fluorophenyl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is KXUIWTUDKIIBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2FN2O4S2/c11-5-1-2-6(13)7(3-5)14-21(18,19)9-4-8(15(16)17)10(12)20-9/h1-4,14H.
What are the key properties of 5-chloro-N-(5-chloro-2-fluorophenyl)-4-nitrothiophene-2-sulfonamide?
5-chloro-N-(5-chloro-2-fluorophenyl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 371.20 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-fluorophenyl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 112729858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).