N-(3-nitrophenyl)thiophene-2-sulfonamide

C10H8N2O4S2 — CID 768865

IUPACN-(3-nitrophenyl)thiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C10H8N2O4S2/c13-12(14)9-4-1-3-8(7-9)11-18(15,16)10-5-2-6-17-10/h1-7,11H
InChIKeyXAONCQPPIVBVIO-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.46
Rot. Bonds4

About N-(3-nitrophenyl)thiophene-2-sulfonamide

N-(3-nitrophenyl)thiophene-2-sulfonamide (PubChem CID 768865) has the molecular formula C10H8N2O4S2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(3-nitrophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)thiophene-2-sulfonamide
PubChem CID768865
Molecular FormulaC10H8N2O4S2
Molecular Weight284.32 g/mol
Exact Mass283.99
IUPAC NameN-(3-nitrophenyl)thiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C10H8N2O4S2/c13-12(14)9-4-1-3-8(7-9)11-18(15,16)10-5-2-6-17-10/h1-7,11H
InChIKeyXAONCQPPIVBVIO-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

5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide
CID 2198378
N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide
CID 8501150
N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 971680
(3-nitrophenyl)methyl 4-(thiophen-2-ylsulfonylamino)benzoate
CID 4309951
N-[(E)-(3-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18231366
N-[3-(4-chlorophenoxy)-5-nitrophenyl]thiophene-2-sulfonamide
CID 22205504
CID 89107790
CID 89107790
2-bromo-N-(3-nitrophenyl)benzenesulfonamide
CID 26952317
1-(dimethylsulfamoylamino)-3-nitrobenzene
CID 721778
N-(3-nitrophenyl)propane-2-sulfonamide
CID 62998710
3-amino-4-methoxy-N-(3-nitrophenyl)benzenesulfonamide
CID 22759589
4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide
CID 94618191

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-nitrophenyl)thiophene-2-sulfonamide (CID 768865) is N-(3-nitrophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-nitrophenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-nitrophenyl)thiophene-2-sulfonamide is O=[N+]([O-])c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(3-nitrophenyl)thiophene-2-sulfonamide?
The InChIKey is XAONCQPPIVBVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S2/c13-12(14)9-4-1-3-8(7-9)11-18(15,16)10-5-2-6-17-10/h1-7,11H.
What are the key properties of N-(3-nitrophenyl)thiophene-2-sulfonamide?
N-(3-nitrophenyl)thiophene-2-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 N-(3-nitrophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 768865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).