N-(4-cyclopentyloxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide

C18H20N2O6S — CID 35548357

IUPACN-(4-cyclopentyloxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C18H20N2O6S/c1-25-17-11-8-14(20(21)22)12-18(17)27(23,24)19-13-6-9-16(10-7-13)26-15-4-2-3-5-15/h6-12,15,19H,2-5H2,1H3
InChIKeyXYOJGBFOPJKQLX-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.73
Rot. Bonds7

About N-(4-cyclopentyloxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide

N-(4-cyclopentyloxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide (PubChem CID 35548357) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is N-(4-cyclopentyloxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyclopentyloxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
PubChem CID35548357
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC NameN-(4-cyclopentyloxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C18H20N2O6S/c1-25-17-11-8-14(20(21)22)12-18(17)27(23,24)19-13-6-9-16(10-7-13)26-15-4-2-3-5-15/h6-12,15,19H,2-5H2,1H3
InChIKeyXYOJGBFOPJKQLX-UHFFFAOYSA-N
XLogP3.73
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-tert-butylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822435
N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822749
N-(4-butan-2-ylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 18092817
N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 35971820
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-5-nitrobenzenesulfonamide
CID 18092796
N-(3,4-diethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8823324
N-(4-chloro-3-nitrophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 18268802
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-methyl-5-nitrobenzenesulfonamide
CID 21367365
2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 2871205
1-cyclopentyloxy-4-nitrobenzene
CID 19616619
butyl 4-[(2-methoxy-5-nitrophenyl)sulfonylamino]benzoate
CID 8822475
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide?
The IUPAC name of N-(4-cyclopentyloxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide (CID 35548357) is N-(4-cyclopentyloxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-cyclopentyloxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-cyclopentyloxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide is COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of N-(4-cyclopentyloxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide?
The InChIKey is XYOJGBFOPJKQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-25-17-11-8-14(20(21)22)12-18(17)27(23,24)19-13-6-9-16(10-7-13)26-15-4-2-3-5-15/h6-12,15,19H,2-5H2,1H3.
What are the key properties of N-(4-cyclopentyloxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide?
N-(4-cyclopentyloxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide has a molecular weight of 392.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide is sourced from PubChem (CID 35548357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).