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

C19H16N2O5S — CID 1379163

IUPAC4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C19H16N2O5S/c22-21(23)17-8-12-19(13-9-17)27(24,25)20-16-6-10-18(11-7-16)26-14-15-4-2-1-3-5-15/h1-13,20H,14H2
InChIKeyMMRXFARKBIWSLC-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.97
Rot. Bonds7

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

4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide (PubChem CID 1379163) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
PubChem CID1379163
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC Name4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C19H16N2O5S/c22-21(23)17-8-12-19(13-9-17)27(24,25)20-16-6-10-18(11-7-16)26-14-15-4-2-1-3-5-15/h1-13,20H,14H2
InChIKeyMMRXFARKBIWSLC-UHFFFAOYSA-N
XLogP3.97
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.97
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

3-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2887128
4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3334756
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 166627714
1-(3-nitrophenyl)-N-(4-phenylmethoxyphenyl)methanesulfonamide
CID 46778123
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271
1-benzyl-4-[(4-nitrophenyl)methoxy]benzene
CID 894511
N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
CID 70194773
4-nitro-N-(4-pentoxyphenyl)benzenesulfonamide
CID 19169192
6-chloro-N-(4-phenylmethoxyphenyl)pyridine-3-sulfonamide
CID 26951357
N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 3114321
4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
CID 169372382

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide (CID 1379163) is 4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The InChIKey is MMRXFARKBIWSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c22-21(23)17-8-12-19(13-9-17)27(24,25)20-16-6-10-18(11-7-16)26-14-15-4-2-1-3-5-15/h1-13,20H,14H2.
What are the key properties of 4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide has a molecular weight of 384.41 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 1379163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).