4-methoxy-N-(2-methoxy-6-nitrophenyl)benzenesulfonamide;propane

C17H22N2O6S — CID 156722661

IUPAC4-methoxy-N-(2-methoxy-6-nitrophenyl)benzenesulfonamide;propane
SMILESCCC.COc1ccc(S(=O)(=O)Nc2c(OC)cccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O6S.C3H8/c1-21-10-6-8-11(9-7-10)23(19,20)15-14-12(16(17)18)4-3-5-13(14)22-2;1-3-2/h3-9,15H,1-2H3;3H2,1-2H3
InChIKeyPHVPFCPQVOBWNQ-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.83
Rot. Bonds6

About 4-methoxy-N-(2-methoxy-6-nitrophenyl)benzenesulfonamide;propane

4-methoxy-N-(2-methoxy-6-nitrophenyl)benzenesulfonamide;propane (PubChem CID 156722661) has the molecular formula C17H22N2O6S and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxy-6-nitrophenyl)benzenesulfonamide;propane.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxy-6-nitrophenyl)benzenesulfonamide;propane
PubChem CID156722661
Molecular FormulaC17H22N2O6S
Molecular Weight382.44 g/mol
Exact Mass382.12
IUPAC Name4-methoxy-N-(2-methoxy-6-nitrophenyl)benzenesulfonamide;propane
SMILESCCC.COc1ccc(S(=O)(=O)Nc2c(OC)cccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O6S.C3H8/c1-21-10-6-8-11(9-7-10)23(19,20)15-14-12(16(17)18)4-3-5-13(14)22-2;1-3-2/h3-9,15H,1-2H3;3H2,1-2H3
InChIKeyPHVPFCPQVOBWNQ-UHFFFAOYSA-N
XLogP3.83
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.83
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-ethyl-2-methoxy-6-nitroaniline
CID 89287909
4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide
CID 2843218
4-methoxy-N-(3-methoxy-5-nitrophenyl)benzenesulfonamide
CID 841402
N-(4-amino-3-nitrophenyl)-4-methoxybenzenesulfonamide
CID 27993402
4-ethoxy-N-(5-nitronaphthalen-1-yl)benzenesulfonamide
CID 2946307
N-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18151538
N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777211
N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide
CID 2885763
N-(2-methoxyphenyl)-4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 5221183
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-nitrobenzenesulfonamide
CID 2947742
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-nitrobenzenesulfonamide
CID 28635365

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxy-6-nitrophenyl)benzenesulfonamide;propane?
The IUPAC name of 4-methoxy-N-(2-methoxy-6-nitrophenyl)benzenesulfonamide;propane (CID 156722661) is 4-methoxy-N-(2-methoxy-6-nitrophenyl)benzenesulfonamide;propane.
What is the SMILES notation for 4-methoxy-N-(2-methoxy-6-nitrophenyl)benzenesulfonamide;propane?
The canonical SMILES for 4-methoxy-N-(2-methoxy-6-nitrophenyl)benzenesulfonamide;propane is CCC.COc1ccc(S(=O)(=O)Nc2c(OC)cccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-methoxy-N-(2-methoxy-6-nitrophenyl)benzenesulfonamide;propane?
The InChIKey is PHVPFCPQVOBWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S.C3H8/c1-21-10-6-8-11(9-7-10)23(19,20)15-14-12(16(17)18)4-3-5-13(14)22-2;1-3-2/h3-9,15H,1-2H3;3H2,1-2H3.
What are the key properties of 4-methoxy-N-(2-methoxy-6-nitrophenyl)benzenesulfonamide;propane?
4-methoxy-N-(2-methoxy-6-nitrophenyl)benzenesulfonamide;propane has a molecular weight of 382.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxy-6-nitrophenyl)benzenesulfonamide;propane is sourced from PubChem (CID 156722661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).