4-(methylamino)-2-nitro-N-thiophen-3-ylbenzenesulfonamide

C11H11N3O4S2 — CID 66355471

IUPAC4-(methylamino)-2-nitro-N-thiophen-3-ylbenzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2ccsc2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H11N3O4S2/c1-12-8-2-3-11(10(6-8)14(15)16)20(17,18)13-9-4-5-19-7-9/h2-7,12-13H,1H3
InChIKeyWXXZPGNCFYFEGN-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.50
Rot. Bonds5

About 4-(methylamino)-2-nitro-N-thiophen-3-ylbenzenesulfonamide

4-(methylamino)-2-nitro-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 66355471) has the molecular formula C11H11N3O4S2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(methylamino)-2-nitro-N-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(methylamino)-2-nitro-N-thiophen-3-ylbenzenesulfonamide
PubChem CID66355471
Molecular FormulaC11H11N3O4S2
Molecular Weight313.36 g/mol
Exact Mass313.02
IUPAC Name4-(methylamino)-2-nitro-N-thiophen-3-ylbenzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2ccsc2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H11N3O4S2/c1-12-8-2-3-11(10(6-8)14(15)16)20(17,18)13-9-4-5-19-7-9/h2-7,12-13H,1H3
InChIKeyWXXZPGNCFYFEGN-UHFFFAOYSA-N
XLogP2.50
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
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

4-(methylamino)-2-nitro-N-propylbenzenesulfonamide
CID 62148432
N-cyclopentyl-4-(methylamino)-2-nitrobenzenesulfonamide
CID 62149673
5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide
CID 80746827
3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide
CID 112694993
4-(methylamino)-2-nitro-N-(oxan-4-yl)benzenesulfonamide
CID 62146487
2-hydrazinyl-5-nitro-N-thiophen-3-ylbenzenesulfonamide
CID 66355013
4-chloro-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 39992748
N-[4-(hydroxymethyl)phenyl]-4-methyl-2-nitrobenzenesulfonamide
CID 90841659
4-(ethylamino)-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 62162452
N-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148017
5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902360
2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66355037

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2-nitro-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 4-(methylamino)-2-nitro-N-thiophen-3-ylbenzenesulfonamide (CID 66355471) is 4-(methylamino)-2-nitro-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-(methylamino)-2-nitro-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 4-(methylamino)-2-nitro-N-thiophen-3-ylbenzenesulfonamide is CNc1ccc(S(=O)(=O)Nc2ccsc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(methylamino)-2-nitro-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is WXXZPGNCFYFEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S2/c1-12-8-2-3-11(10(6-8)14(15)16)20(17,18)13-9-4-5-19-7-9/h2-7,12-13H,1H3.
What are the key properties of 4-(methylamino)-2-nitro-N-thiophen-3-ylbenzenesulfonamide?
4-(methylamino)-2-nitro-N-thiophen-3-ylbenzenesulfonamide has a molecular weight of 313.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2-nitro-N-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 66355471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).