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

C15H16N2O5S — CID 91441095

IUPACN-(4-nitro-2-phenylmethoxyphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1
InChIInChI=1S/C15H16N2O5S/c1-2-23(20,21)16-14-9-8-13(17(18)19)10-15(14)22-11-12-6-4-3-5-7-12/h3-10,16H,2,11H2,1H3
InChIKeyJCWJGJNTUFLSCD-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.94
Rot. Bonds7

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

N-(4-nitro-2-phenylmethoxyphenyl)ethanesulfonamide (PubChem CID 91441095) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(4-nitro-2-phenylmethoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-nitro-2-phenylmethoxyphenyl)ethanesulfonamide
PubChem CID91441095
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC NameN-(4-nitro-2-phenylmethoxyphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1
InChIInChI=1S/C15H16N2O5S/c1-2-23(20,21)16-14-9-8-13(17(18)19)10-15(14)22-11-12-6-4-3-5-7-12/h3-10,16H,2,11H2,1H3
InChIKeyJCWJGJNTUFLSCD-UHFFFAOYSA-N
XLogP2.94
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.94
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-iodo-5-nitro-3-phenylmethoxyphenyl)methanesulfonamide
CID 11719307
4-nitro-2-phenylmethoxybenzonitrile
CID 11780048
N-(2-bromo-4-nitrophenyl)ethanesulfonamide
CID 60642817
N-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide
CID 90518275
4-nitro-1-phenoxy-2-phenylmethoxybenzene
CID 139434061
N-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide
CID 24807044
N-hexyl-N-(4-nitro-2-phenylmethoxyphenyl)methanesulfonamide
CID 24806422
4-nitro-2-[(5-nitro-2-phenylmethoxyphenyl)disulfanyl]-1-phenylmethoxybenzene
CID 4985783
1-methoxy-4-nitro-2-phenylmethoxybenzene;4-methoxy-3-phenylmethoxyaniline
CID 159845208
N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide
CID 22010922
N-[4-(benzenesulfonyl)-2-nitrophenyl]ethanesulfonamide
CID 57208524
N-(2-hexoxy-4-nitrophenyl)methanesulfonamide
CID 11493409

Frequently Asked Questions

What is the IUPAC name of N-(4-nitro-2-phenylmethoxyphenyl)ethanesulfonamide?
The IUPAC name of N-(4-nitro-2-phenylmethoxyphenyl)ethanesulfonamide (CID 91441095) is N-(4-nitro-2-phenylmethoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-(4-nitro-2-phenylmethoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-(4-nitro-2-phenylmethoxyphenyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1.
What is the InChIKey of N-(4-nitro-2-phenylmethoxyphenyl)ethanesulfonamide?
The InChIKey is JCWJGJNTUFLSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-2-23(20,21)16-14-9-8-13(17(18)19)10-15(14)22-11-12-6-4-3-5-7-12/h3-10,16H,2,11H2,1H3.
What are the key properties of N-(4-nitro-2-phenylmethoxyphenyl)ethanesulfonamide?
N-(4-nitro-2-phenylmethoxyphenyl)ethanesulfonamide has a molecular weight of 336.37 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitro-2-phenylmethoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 91441095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).