2-nitro-N-phenylthiophene-3-sulfonamide

C10H8N2O4S2 — CID 152588015

IUPAC2-nitro-N-phenylthiophene-3-sulfonamide
SMILESO=[N+]([O-])c1sccc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C10H8N2O4S2/c13-12(14)10-9(6-7-17-10)18(15,16)11-8-4-2-1-3-5-8/h1-7,11H
InChIKeyYUWCYAZSKALLGN-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.46
Rot. Bonds4

About 2-nitro-N-phenylthiophene-3-sulfonamide

2-nitro-N-phenylthiophene-3-sulfonamide (PubChem CID 152588015) has the molecular formula C10H8N2O4S2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-nitro-N-phenylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-nitro-N-phenylthiophene-3-sulfonamide
PubChem CID152588015
Molecular FormulaC10H8N2O4S2
Molecular Weight284.32 g/mol
Exact Mass283.99
IUPAC Name2-nitro-N-phenylthiophene-3-sulfonamide
SMILESO=[N+]([O-])c1sccc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C10H8N2O4S2/c13-12(14)10-9(6-7-17-10)18(15,16)11-8-4-2-1-3-5-8/h1-7,11H
InChIKeyYUWCYAZSKALLGN-UHFFFAOYSA-N
XLogP2.46
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.46
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

N-methyl-2-nitrothiophene-3-sulfonamide
CID 71756053
N-(4-iodophenyl)-2-nitrobenzenesulfonamide
CID 1380183
2-methyl-5-nitro-N-[4-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 21173747
5-nitro-N-phenyl-2-propylbenzenesulfonamide
CID 71431777
5-(ethylamino)-4-nitro-N-phenylthiophene-2-sulfonamide
CID 80744740
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
3-(phenylsulfamoyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 66717288
2-bromo-N-(3-nitrophenyl)benzenesulfonamide
CID 26952317
N-(3-nitrophenyl)thiophene-2-sulfonamide
CID 768865
N-(3,5-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 779865
1-[3-[(2-nitrophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 31075653

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-phenylthiophene-3-sulfonamide?
The IUPAC name of 2-nitro-N-phenylthiophene-3-sulfonamide (CID 152588015) is 2-nitro-N-phenylthiophene-3-sulfonamide.
What is the SMILES notation for 2-nitro-N-phenylthiophene-3-sulfonamide?
The canonical SMILES for 2-nitro-N-phenylthiophene-3-sulfonamide is O=[N+]([O-])c1sccc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 2-nitro-N-phenylthiophene-3-sulfonamide?
The InChIKey is YUWCYAZSKALLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S2/c13-12(14)10-9(6-7-17-10)18(15,16)11-8-4-2-1-3-5-8/h1-7,11H.
What are the key properties of 2-nitro-N-phenylthiophene-3-sulfonamide?
2-nitro-N-phenylthiophene-3-sulfonamide has a molecular weight of 284.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-phenylthiophene-3-sulfonamide is sourced from PubChem (CID 152588015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).