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

C19H16N2O5S — CID 1379398

IUPAC2-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H16N2O5S/c22-21(23)18-8-4-5-9-19(18)27(24,25)20-16-10-12-17(13-11-16)26-14-15-6-2-1-3-7-15/h1-13,20H,14H2
InChIKeyKJBLJLIDRXSYLK-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.97
Rot. Bonds7

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

2-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide (PubChem CID 1379398) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
PubChem CID1379398
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC Name2-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H16N2O5S/c22-21(23)18-8-4-5-9-19(18)27(24,25)20-16-10-12-17(13-11-16)26-14-15-6-2-1-3-7-15/h1-13,20H,14H2
InChIKeyKJBLJLIDRXSYLK-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

N-(4-Ethoxyphenyl)-4-methylbenzenesulfonamide
CID 284083
4-(4-Nitro-phenoxy)-N-phenyl-benzenesulfonamide
CID 1116087
4-[(4-Nitrophenyl)methoxy]benzenesulfonamide
CID 43342481
3-nitro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 2876244
N-[4-(benzyloxy)phenyl]benzenesulfonamide
CID 799154
N-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 893786
N-[(3S)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2-nitrobenzenesulfonamide
CID 162649944
N-[4-(benzyloxy)phenyl]-1-phenylmethanesulfonamide
CID 1356953
4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide
CID 4671033
4-nitro-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide
CID 24807046
N-[3-(3-Amino-4-nitrophenoxy)phenyl]-3-(trifluoromethyl)benzene-1-sulfonamide
CID 70696919
2-[[(E)-2-(2-ethoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide
CID 57750990

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide (CID 1379398) is 2-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The InChIKey is KJBLJLIDRXSYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c22-21(23)18-8-4-5-9-19(18)27(24,25)20-16-10-12-17(13-11-16)26-14-15-6-2-1-3-7-15/h1-13,20H,14H2.
What are the key properties of 2-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
2-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 2-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 1379398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).