4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide

C19H16N2O5S — CID 7939180

IUPAC4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H16N2O5S/c1-26-19-12-11-15(13-18(19)21(22)23)27(24,25)20-17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-13,20H,1H3
InChIKeyIKCAREBLOSAXBA-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.07
Rot. Bonds6

About 4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide

4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide (PubChem CID 7939180) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide
PubChem CID7939180
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC Name4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H16N2O5S/c1-26-19-12-11-15(13-18(19)21(22)23)27(24,25)20-17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-13,20H,1H3
InChIKeyIKCAREBLOSAXBA-UHFFFAOYSA-N
XLogP4.07
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.07
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-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 3964142
4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 4801341
3-fluoro-4-methoxy-N-(2-phenylphenyl)benzenesulfonamide
CID 39825493
3,4-dimethoxy-N-[4-(2-nitrophenyl)phenyl]benzenesulfonamide
CID 22203747
4-methoxy-3-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide
CID 16962565
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 121315036
N-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 4815997
N,4-dimethoxy-3-nitrobenzenesulfonamide
CID 60700810
5-bromo-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzoic acid
CID 21065061
N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 2883984
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
3-hydroxy-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoic acid
CID 43081378

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide (CID 7939180) is 4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide?
The InChIKey is IKCAREBLOSAXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c1-26-19-12-11-15(13-18(19)21(22)23)27(24,25)20-17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-13,20H,1H3.
What are the key properties of 4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide?
4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide has a molecular weight of 384.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 7939180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).