5-chloro-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide

C10H8ClN3O4S2 — CID 80742367

IUPAC5-chloro-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NCc2ccncc2)sc1Cl
InChIInChI=1S/C10H8ClN3O4S2/c11-10-8(14(15)16)5-9(19-10)20(17,18)13-6-7-1-3-12-4-2-7/h1-5,13H,6H2
InChIKeyMDEABZZXOGCOPZ-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.18
Rot. Bonds5

About 5-chloro-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide

5-chloro-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide (PubChem CID 80742367) has the molecular formula C10H8ClN3O4S2 and a molecular weight of 333.78 g/mol. Its IUPAC name is 5-chloro-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
PubChem CID80742367
Molecular FormulaC10H8ClN3O4S2
Molecular Weight333.78 g/mol
Exact Mass332.96
IUPAC Name5-chloro-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NCc2ccncc2)sc1Cl
InChIInChI=1S/C10H8ClN3O4S2/c11-10-8(14(15)16)5-9(19-10)20(17,18)13-6-7-1-3-12-4-2-7/h1-5,13H,6H2
InChIKeyMDEABZZXOGCOPZ-UHFFFAOYSA-N
XLogP2.18
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.18
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

5-chloro-N-[(4-methoxyphenyl)methyl]-4-nitrothiophene-2-sulfonamide
CID 146421957
5-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide
CID 112729910
5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide
CID 80742265
5-chloro-4-nitro-N-(1,3-thiazol-4-ylmethyl)thiophene-2-sulfonamide
CID 80741647
5-amino-N-[(4-chlorophenyl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80745499
5-chloro-N-(2-iodoethyl)-4-nitrothiophene-2-sulfonamide
CID 106442151
5-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80741842
5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
CID 80730553
5-chloro-N-[(4-methylthiophen-3-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80742321
3-fluoro-4-nitro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 82846618
N-(2-aminopropyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742338
2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 14616990

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide (CID 80742367) is 5-chloro-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccncc2)sc1Cl.
What is the InChIKey of 5-chloro-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is MDEABZZXOGCOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O4S2/c11-10-8(14(15)16)5-9(19-10)20(17,18)13-6-7-1-3-12-4-2-7/h1-5,13H,6H2.
What are the key properties of 5-chloro-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide?
5-chloro-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 333.78 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80742367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).