N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide

C14H12F2N2O6S — CID 8822909

IUPACN-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C14H12F2N2O6S/c1-23-12-7-6-9(18(19)20)8-13(12)25(21,22)17-10-4-2-3-5-11(10)24-14(15)16/h2-8,14,17H,1H3
InChIKeyLYTDLDKUGKBEHD-UHFFFAOYSA-N
MW374.32 g/mol
LogP3.01
Rot. Bonds7

About N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide

N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide (PubChem CID 8822909) has the molecular formula C14H12F2N2O6S and a molecular weight of 374.32 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide
PubChem CID8822909
Molecular FormulaC14H12F2N2O6S
Molecular Weight374.32 g/mol
Exact Mass374.04
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C14H12F2N2O6S/c1-23-12-7-6-9(18(19)20)8-13(12)25(21,22)17-10-4-2-3-5-11(10)24-14(15)16/h2-8,14,17H,1H3
InChIKeyLYTDLDKUGKBEHD-UHFFFAOYSA-N
XLogP3.01
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.01
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-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288
5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide
CID 8504794
2-methoxy-5-nitro-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 18141956
2-[2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3338103
N-(4-bromo-2-fluorophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822705
N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822749
2-[(2Z)-2-[1-[4-(difluoromethoxy)phenyl]propylidene]hydrazinyl]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 6517103
2-(benzylamino)-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 9186751
N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822417
N-(2-fluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 47062690
5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53288956
2-[(2,5-dimethoxyphenyl)methylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 31663976

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide (CID 8822909) is N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide is COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide?
The InChIKey is LYTDLDKUGKBEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O6S/c1-23-12-7-6-9(18(19)20)8-13(12)25(21,22)17-10-4-2-3-5-11(10)24-14(15)16/h2-8,14,17H,1H3.
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide?
N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide has a molecular weight of 374.32 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide is sourced from PubChem (CID 8822909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).