5-chloro-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide

C10H8ClN3O4S2 — CID 80742638

IUPAC5-chloro-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)n1
InChIInChI=1S/C10H8ClN3O4S2/c1-6-3-2-4-8(12-6)13-20(17,18)9-5-7(14(15)16)10(11)19-9/h2-5H,1H3,(H,12,13)
InChIKeyAAMDZRFDFGEPEY-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.81
Rot. Bonds4

About 5-chloro-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide

5-chloro-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide (PubChem CID 80742638) has the molecular formula C10H8ClN3O4S2 and a molecular weight of 333.78 g/mol. Its IUPAC name is 5-chloro-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide
PubChem CID80742638
Molecular FormulaC10H8ClN3O4S2
Molecular Weight333.78 g/mol
Exact Mass332.96
IUPAC Name5-chloro-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)n1
InChIInChI=1S/C10H8ClN3O4S2/c1-6-3-2-4-8(12-6)13-20(17,18)9-5-7(14(15)16)10(11)19-9/h2-5H,1H3,(H,12,13)
InChIKeyAAMDZRFDFGEPEY-UHFFFAOYSA-N
XLogP2.81
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(6-bromo-2-pyridinyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742323
5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide
CID 116794914
5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80741638
5-chloro-N-(3-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide
CID 80741697
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-(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-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide
CID 80735145
N-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 107612754
N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 893587
5-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80741842

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide (CID 80742638) is 5-chloro-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide is Cc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)n1.
What is the InChIKey of 5-chloro-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is AAMDZRFDFGEPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O4S2/c1-6-3-2-4-8(12-6)13-20(17,18)9-5-7(14(15)16)10(11)19-9/h2-5H,1H3,(H,12,13).
What are the key properties of 5-chloro-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide?
5-chloro-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 333.78 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80742638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).