4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide

C18H15N3O5S — CID 40677099

IUPAC4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ncccc3[N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H15N3O5S/c1-13-4-10-16(11-5-13)27(24,25)20-14-6-8-15(9-7-14)26-18-17(21(22)23)3-2-12-19-18/h2-12,20H,1H3
InChIKeyXRHVFNANKVRXLN-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.89
Rot. Bonds6

About 4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide

4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide (PubChem CID 40677099) has the molecular formula C18H15N3O5S and a molecular weight of 385.40 g/mol. Its IUPAC name is 4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide
PubChem CID40677099
Molecular FormulaC18H15N3O5S
Molecular Weight385.40 g/mol
Exact Mass385.07
IUPAC Name4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ncccc3[N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H15N3O5S/c1-13-4-10-16(11-5-13)27(24,25)20-14-6-8-15(9-7-14)26-18-17(21(22)23)3-2-12-19-18/h2-12,20H,1H3
InChIKeyXRHVFNANKVRXLN-UHFFFAOYSA-N
XLogP3.89
TPSA111.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.89
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

2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine
CID 139780070
2-(3,5-dimethylphenoxy)-3-nitropyridine
CID 12675961
1-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]ethanone
CID 40676941
N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 1377807
4-methyl-N-[3-(4-methylphenoxy)-5-nitrophenyl]benzenesulfonamide
CID 169371299
3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol
CID 107680779
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120166
N-[4-(2-cyano-4-nitrophenoxy)phenyl]-4-methylbenzenesulfonamide
CID 9107537
4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CID 169370373
2-methyl-N-(4-methylphenyl)-3-nitrobenzenesulfonamide
CID 38771912

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide (CID 40677099) is 4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ncccc3[N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide?
The InChIKey is XRHVFNANKVRXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5S/c1-13-4-10-16(11-5-13)27(24,25)20-14-6-8-15(9-7-14)26-18-17(21(22)23)3-2-12-19-18/h2-12,20H,1H3.
What are the key properties of 4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide?
4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide has a molecular weight of 385.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 40677099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).