4-methyl-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide

C20H18N2O5S — CID 24807239

IUPAC4-methyl-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OCc2ccccc2)cc1
InChIInChI=1S/C20H18N2O5S/c1-15-7-10-18(11-8-15)28(25,26)21-19-12-9-17(22(23)24)13-20(19)27-14-16-5-3-2-4-6-16/h2-13,21H,14H2,1H3
InChIKeyZVMRWKXRHFYMEO-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.28
Rot. Bonds7

About 4-methyl-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide

4-methyl-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide (PubChem CID 24807239) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is 4-methyl-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide
PubChem CID24807239
Molecular FormulaC20H18N2O5S
Molecular Weight398.44 g/mol
Exact Mass398.09
IUPAC Name4-methyl-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OCc2ccccc2)cc1
InChIInChI=1S/C20H18N2O5S/c1-15-7-10-18(11-8-15)28(25,26)21-19-12-9-17(22(23)24)13-20(19)27-14-16-5-3-2-4-6-16/h2-13,21H,14H2,1H3
InChIKeyZVMRWKXRHFYMEO-UHFFFAOYSA-N
XLogP4.28
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.28
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide (CID 24807239) is 4-methyl-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OCc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide?
The InChIKey is ZVMRWKXRHFYMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S/c1-15-7-10-18(11-8-15)28(25,26)21-19-12-9-17(22(23)24)13-20(19)27-14-16-5-3-2-4-6-16/h2-13,21H,14H2,1H3.
What are the key properties of 4-methyl-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide?
4-methyl-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide has a molecular weight of 398.44 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 24807239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).