N-[2-(methoxymethyl)-4-nitrophenyl]benzenesulfonamide

C14H14N2O5S — CID 122158378

IUPACN-[2-(methoxymethyl)-4-nitrophenyl]benzenesulfonamide
SMILESCOCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14N2O5S/c1-21-10-11-9-12(16(17)18)7-8-14(11)15-22(19,20)13-5-3-2-4-6-13/h2-9,15H,10H2,1H3
InChIKeyFPBGTYUEMNROID-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.54
Rot. Bonds6

About N-[2-(methoxymethyl)-4-nitrophenyl]benzenesulfonamide

N-[2-(methoxymethyl)-4-nitrophenyl]benzenesulfonamide (PubChem CID 122158378) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is N-[2-(methoxymethyl)-4-nitrophenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)-4-nitrophenyl]benzenesulfonamide
PubChem CID122158378
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC NameN-[2-(methoxymethyl)-4-nitrophenyl]benzenesulfonamide
SMILESCOCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14N2O5S/c1-21-10-11-9-12(16(17)18)7-8-14(11)15-22(19,20)13-5-3-2-4-6-13/h2-9,15H,10H2,1H3
InChIKeyFPBGTYUEMNROID-UHFFFAOYSA-N
XLogP2.54
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.54
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-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
CID 3300221
N-(2-ethylphenyl)-4-nitrobenzenesulfonamide
CID 3980128
N-[(2-ethylphenyl)methyl]-2-(methoxymethyl)-4-nitroaniline
CID 133340690
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide
CID 779776
N-[[2-(methoxymethyl)-4-nitrophenyl]methyl]aniline
CID 66836115
1-[2-(benzenesulfonamido)-4-nitrophenyl]-3-phenylurea
CID 158579862
N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide
CID 142740286
N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 22774306
2-(methoxymethyl)-N-(2-methyl-2-methylsulfanylpropyl)-4-nitroaniline
CID 133341357
N-(2-methoxy-4-nitrophenyl)-9,10-dioxoanthracene-2-sulfonamide
CID 3127937

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)-4-nitrophenyl]benzenesulfonamide?
The IUPAC name of N-[2-(methoxymethyl)-4-nitrophenyl]benzenesulfonamide (CID 122158378) is N-[2-(methoxymethyl)-4-nitrophenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(methoxymethyl)-4-nitrophenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(methoxymethyl)-4-nitrophenyl]benzenesulfonamide is COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(methoxymethyl)-4-nitrophenyl]benzenesulfonamide?
The InChIKey is FPBGTYUEMNROID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-21-10-11-9-12(16(17)18)7-8-14(11)15-22(19,20)13-5-3-2-4-6-13/h2-9,15H,10H2,1H3.
What are the key properties of N-[2-(methoxymethyl)-4-nitrophenyl]benzenesulfonamide?
N-[2-(methoxymethyl)-4-nitrophenyl]benzenesulfonamide has a molecular weight of 322.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)-4-nitrophenyl]benzenesulfonamide is sourced from PubChem (CID 122158378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).