4-methoxy-N-methyl-2-nitro-N-(1-thiophen-2-ylethyl)benzenesulfonamide

C14H16N2O5S2 — CID 55512730

IUPAC4-methoxy-N-methyl-2-nitro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C(C)c2cccs2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H16N2O5S2/c1-10(13-5-4-8-22-13)15(2)23(19,20)14-7-6-11(21-3)9-12(14)16(17)18/h4-10H,1-3H3
InChIKeyHGVGOUXIRWJZSB-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.05
Rot. Bonds6

About 4-methoxy-N-methyl-2-nitro-N-(1-thiophen-2-ylethyl)benzenesulfonamide

4-methoxy-N-methyl-2-nitro-N-(1-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 55512730) has the molecular formula C14H16N2O5S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-methoxy-N-methyl-2-nitro-N-(1-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-2-nitro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID55512730
Molecular FormulaC14H16N2O5S2
Molecular Weight356.43 g/mol
Exact Mass356.05
IUPAC Name4-methoxy-N-methyl-2-nitro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C(C)c2cccs2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H16N2O5S2/c1-10(13-5-4-8-22-13)15(2)23(19,20)14-7-6-11(21-3)9-12(14)16(17)18/h4-10H,1-3H3
InChIKeyHGVGOUXIRWJZSB-UHFFFAOYSA-N
XLogP3.05
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
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

N-(1-hydroxypropan-2-yl)-4-methoxy-N-methyl-2-nitrobenzenesulfonamide
CID 115776367
N-benzyl-4-methoxy-2-nitro-N-propan-2-ylbenzenesulfonamide
CID 31066402
5-methoxy-2-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 79034312
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-2-nitrobenzenesulfonamide
CID 31070036
sodium 4-methoxy-2-nitrobenzenesulfonate
CID 112704965
N-[(3,4-difluorophenyl)methyl]-4-methoxy-N-methyl-2-nitrobenzenesulfonamide
CID 55556018
2-(5-methoxy-2-nitrophenyl)-1-thiophen-2-ylethanol
CID 56925642
N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 18274871
N-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 43502283
N-ethyl-4-methoxy-N-(2-methylprop-2-enyl)-2-nitrobenzenesulfonamide
CID 31066498
4-ethoxy-N,N-dimethyl-2-nitrobenzenesulfonamide
CID 117059190
4-methoxy-N-[1-(2-methylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 51330818

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-2-nitro-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-methyl-2-nitro-N-(1-thiophen-2-ylethyl)benzenesulfonamide (CID 55512730) is 4-methoxy-N-methyl-2-nitro-N-(1-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-methyl-2-nitro-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-methyl-2-nitro-N-(1-thiophen-2-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)C(C)c2cccs2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-N-methyl-2-nitro-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is HGVGOUXIRWJZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S2/c1-10(13-5-4-8-22-13)15(2)23(19,20)14-7-6-11(21-3)9-12(14)16(17)18/h4-10H,1-3H3.
What are the key properties of 4-methoxy-N-methyl-2-nitro-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
4-methoxy-N-methyl-2-nitro-N-(1-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 356.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-2-nitro-N-(1-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 55512730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).