5-chloro-4-nitrothiophene-2-sulfonamide

C4H3ClN2O4S2 — CID 2735782

IUPAC5-chloro-4-nitrothiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C4H3ClN2O4S2/c5-4-2(7(8)9)1-3(12-4)13(6,10)11/h1H,(H2,6,10,11)
InChIKeyCKMLFNQCVNTKHN-UHFFFAOYSA-N
MW242.66 g/mol
LogP0.96
Rot. Bonds2

About 5-chloro-4-nitrothiophene-2-sulfonamide

5-chloro-4-nitrothiophene-2-sulfonamide (PubChem CID 2735782) has the molecular formula C4H3ClN2O4S2 and a molecular weight of 242.66 g/mol. Its IUPAC name is 5-chloro-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-nitrothiophene-2-sulfonamide
PubChem CID2735782
Molecular FormulaC4H3ClN2O4S2
Molecular Weight242.66 g/mol
Exact Mass241.92
IUPAC Name5-chloro-4-nitrothiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C4H3ClN2O4S2/c5-4-2(7(8)9)1-3(12-4)13(6,10)11/h1H,(H2,6,10,11)
InChIKeyCKMLFNQCVNTKHN-UHFFFAOYSA-N
XLogP0.96
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 50.96
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

5-chloro-4-nitrothiophene-2-sulfonic acid;silver
CID 76602645
5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide
CID 80742265
N-(2-aminopropyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742338
N-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742339
1-(5-chloro-4-nitrothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
CID 106668722
5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80741766
(3R,4S)-1-(5-chloro-4-nitrothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
CID 80742267
5-chloro-N-(2-iodoethyl)-4-nitrothiophene-2-sulfonamide
CID 106442151
5-chloro-N-(2,5-dibromophenyl)-4-nitrothiophene-2-sulfonamide
CID 80735740
5-chloro-4-nitro-N-pentan-3-ylthiophene-2-sulfonamide
CID 80741832
5-chloro-N-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide
CID 80735145
N-(2-amino-3-methylbutyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742542

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-4-nitrothiophene-2-sulfonamide (CID 2735782) is 5-chloro-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-4-nitrothiophene-2-sulfonamide is NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1.
What is the InChIKey of 5-chloro-4-nitrothiophene-2-sulfonamide?
The InChIKey is CKMLFNQCVNTKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClN2O4S2/c5-4-2(7(8)9)1-3(12-4)13(6,10)11/h1H,(H2,6,10,11).
What are the key properties of 5-chloro-4-nitrothiophene-2-sulfonamide?
5-chloro-4-nitrothiophene-2-sulfonamide has a molecular weight of 242.66 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 2735782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).