5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide

C8H4Cl2N4O4S2 — CID 116794914

IUPAC5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccnc(Cl)n2)sc1Cl
InChIInChI=1S/C8H4Cl2N4O4S2/c9-7-4(14(15)16)3-6(19-7)20(17,18)13-5-1-2-11-8(10)12-5/h1-3H,(H,11,12,13)
InChIKeyPJXPJXMQZMTRAQ-UHFFFAOYSA-N
MW355.18 g/mol
LogP2.55
Rot. Bonds4

About 5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide

5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide (PubChem CID 116794914) has the molecular formula C8H4Cl2N4O4S2 and a molecular weight of 355.18 g/mol. Its IUPAC name is 5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide
PubChem CID116794914
Molecular FormulaC8H4Cl2N4O4S2
Molecular Weight355.18 g/mol
Exact Mass353.91
IUPAC Name5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccnc(Cl)n2)sc1Cl
InChIInChI=1S/C8H4Cl2N4O4S2/c9-7-4(14(15)16)3-6(19-7)20(17,18)13-5-1-2-11-8(10)12-5/h1-3H,(H,11,12,13)
InChIKeyPJXPJXMQZMTRAQ-UHFFFAOYSA-N
XLogP2.55
TPSA115.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide
CID 80742638
N-(6-bromo-2-pyridinyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742323
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-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 80742367
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-chloroethyl)-4-nitrothiophene-2-sulfonamide
CID 80742265
N-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 107612754
5-chloro-N-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide
CID 80735145

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide (CID 116794914) is 5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccnc(Cl)n2)sc1Cl.
What is the InChIKey of 5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is PJXPJXMQZMTRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N4O4S2/c9-7-4(14(15)16)3-6(19-7)20(17,18)13-5-1-2-11-8(10)12-5/h1-3H,(H,11,12,13).
What are the key properties of 5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide?
5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 355.18 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 116794914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).