4-cyclohexyloxy-2-methyl-5-nitrobenzenesulfonamide

C13H18N2O5S — CID 43342380

IUPAC4-cyclohexyloxy-2-methyl-5-nitrobenzenesulfonamide
SMILESCc1cc(OC2CCCCC2)c([N+](=O)[O-])cc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O5S/c1-9-7-12(20-10-5-3-2-4-6-10)11(15(16)17)8-13(9)21(14,18)19/h7-8,10H,2-6H2,1H3,(H2,14,18,19)
InChIKeyCAKSQXHQTRAPRB-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.26
Rot. Bonds4

About 4-cyclohexyloxy-2-methyl-5-nitrobenzenesulfonamide

4-cyclohexyloxy-2-methyl-5-nitrobenzenesulfonamide (PubChem CID 43342380) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-cyclohexyloxy-2-methyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyloxy-2-methyl-5-nitrobenzenesulfonamide
PubChem CID43342380
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name4-cyclohexyloxy-2-methyl-5-nitrobenzenesulfonamide
SMILESCc1cc(OC2CCCCC2)c([N+](=O)[O-])cc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O5S/c1-9-7-12(20-10-5-3-2-4-6-10)11(15(16)17)8-13(9)21(14,18)19/h7-8,10H,2-6H2,1H3,(H2,14,18,19)
InChIKeyCAKSQXHQTRAPRB-UHFFFAOYSA-N
XLogP2.26
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.26
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

2-methyl-5-nitro-4-(oxan-4-yloxy)benzenesulfonamide
CID 63937667
2-methyl-5-nitro-4-(oxolan-2-ylmethoxy)benzenesulfonamide
CID 43342372
5-cyclopentyloxy-2,4-dinitrophenol
CID 139703889
2-methyl-4-(2-methylprop-2-enoxy)-5-nitrobenzenesulfonamide
CID 82921708
2-methyl-5-nitro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43342373
2-methyl-4-(3-methylbut-2-enoxy)-5-nitrobenzenesulfonamide
CID 82921350
4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride
CID 82934940
4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide
CID 43342353
(5-chloro-2-nitrophenoxy)cycloheptane
CID 82935207
[5-(bromomethyl)-2-nitrophenoxy]cycloheptane
CID 82928233
4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine
CID 103594346
2-methyl-5-nitro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide
CID 82913703

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-2-methyl-5-nitrobenzenesulfonamide?
The IUPAC name of 4-cyclohexyloxy-2-methyl-5-nitrobenzenesulfonamide (CID 43342380) is 4-cyclohexyloxy-2-methyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for 4-cyclohexyloxy-2-methyl-5-nitrobenzenesulfonamide?
The canonical SMILES for 4-cyclohexyloxy-2-methyl-5-nitrobenzenesulfonamide is Cc1cc(OC2CCCCC2)c([N+](=O)[O-])cc1S(N)(=O)=O.
What is the InChIKey of 4-cyclohexyloxy-2-methyl-5-nitrobenzenesulfonamide?
The InChIKey is CAKSQXHQTRAPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-9-7-12(20-10-5-3-2-4-6-10)11(15(16)17)8-13(9)21(14,18)19/h7-8,10H,2-6H2,1H3,(H2,14,18,19).
What are the key properties of 4-cyclohexyloxy-2-methyl-5-nitrobenzenesulfonamide?
4-cyclohexyloxy-2-methyl-5-nitrobenzenesulfonamide has a molecular weight of 314.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-2-methyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 43342380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).