sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide

C13H18N2NaO5S — CID 67863952

IUPAC—
SMILESCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCCC1.[Na]
InChIInChI=1S/C13H18N2O5S.Na/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11;/h7-9,11,14H,2-6H2,1H3;
InChIKeyRRYWLWKPSBTOOC-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.30
Rot. Bonds5

About sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide

sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide (PubChem CID 67863952) has the molecular formula C13H18N2NaO5S and a molecular weight of 337.35 g/mol.

Molecular Properties

Compound Namesodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
PubChem CID67863952
Molecular FormulaC13H18N2NaO5S
Molecular Weight337.35 g/mol
Exact Mass337.08
IUPAC Name—
SMILESCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCCC1.[Na]
InChIInChI=1S/C13H18N2O5S.Na/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11;/h7-9,11,14H,2-6H2,1H3;
InChIKeyRRYWLWKPSBTOOC-UHFFFAOYSA-N
XLogP2.30
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.30
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-cyclohexyloxy-4-nitrophenyl)methanesulfonamide;N-(2-cyclohexyloxy-4-nitrophenyl)-N-methylmethanesulfonamide
CID 158974603
N-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide
CID 14771324
N-[2-[(1R,2S)-2-methylcyclohexyl]oxy-4-nitrophenyl]methanesulfonamide
CID 14771311
N-(2-cyclohexyloxy-4-nitrophenyl)acetamide
CID 46830015
1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine
CID 43472649
N-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide
CID 141225851
N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
CID 3300221
[2-(bromomethyl)-4-nitrophenoxy]cycloheptane
CID 82928848
N-(2-hexoxy-4-nitrophenyl)methanesulfonamide
CID 11493409
N-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide
CID 141225866
N-[4-cyclohexyloxy-5-(methanesulfonamido)-2-nitrophenyl]butanamide
CID 15233441
2-cyclohexyloxy-5-nitrobenzonitrile
CID 22227856

Frequently Asked Questions

What is the IUPAC name of sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide?
The IUPAC name of sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide (CID 67863952) is not available.
What is the SMILES notation for sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide?
The canonical SMILES for sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide is CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCCC1.[Na].
What is the InChIKey of sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide?
The InChIKey is RRYWLWKPSBTOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S.Na/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11;/h7-9,11,14H,2-6H2,1H3;.
What are the key properties of sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide?
sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide has a molecular weight of 337.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 67863952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).