N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitrobenzenesulfonamide

C15H15FN2O5S — CID 31075171

IUPACN-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitrobenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O5S/c1-23-12-6-7-15(14(10-12)18(19)20)24(21,22)17-9-8-11-4-2-3-5-13(11)16/h2-7,10,17H,8-9H2,1H3
InChIKeyFDUGCNCCBLNGIU-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.26
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitrobenzenesulfonamide

N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitrobenzenesulfonamide (PubChem CID 31075171) has the molecular formula C15H15FN2O5S and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitrobenzenesulfonamide
PubChem CID31075171
Molecular FormulaC15H15FN2O5S
Molecular Weight354.36 g/mol
Exact Mass354.07
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitrobenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O5S/c1-23-12-6-7-15(14(10-12)18(19)20)24(21,22)17-9-8-11-4-2-3-5-13(11)16/h2-7,10,17H,8-9H2,1H3
InChIKeyFDUGCNCCBLNGIU-UHFFFAOYSA-N
XLogP2.26
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
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

N-(4-Methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide
CID 225676
[3-[[2-Nitro-4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]boronic acid
CID 52939995
4-[2-[(2-Methoxy-4-nitrophenyl)methylamino]ethyl]benzenesulfonamide
CID 168284619
N-[2-(4-methoxyphenyl)ethyl]-3-nitrobenzenesulfonamide
CID 2886234
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 1129586
N-[(4-methoxyphenyl)methyl]-2,4-dinitro-benzenesulfonamide
CID 11046808
Benzenesulfonamide, N-[(4-methoxyphenyl)methyl]-2-nitro-
CID 796366
4-Methoxy-2-nitrobenzenesulfonamide
CID 16784452
4-fluoro-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide
CID 2866046
N-(3-methoxyphenyl)-2,4-dinitrobenzenesulfonamide
CID 26952272
2-nitro-N-(2-(3-(trifluoromethyl)phenoxy)ethyl)benzenesulfonamide
CID 30867192
N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 874458

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitrobenzenesulfonamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitrobenzenesulfonamide (CID 31075171) is N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitrobenzenesulfonamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitrobenzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2ccccc2F)c([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitrobenzenesulfonamide?
The InChIKey is FDUGCNCCBLNGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O5S/c1-23-12-6-7-15(14(10-12)18(19)20)24(21,22)17-9-8-11-4-2-3-5-13(11)16/h2-7,10,17H,8-9H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitrobenzenesulfonamide?
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitrobenzenesulfonamide has a molecular weight of 354.36 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitrobenzenesulfonamide is sourced from PubChem (CID 31075171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).