N,N-dimethyl-2-[(4-nitrophenyl)methoxy]benzenesulfonamide

C15H16N2O5S — CID 175248720

IUPACN,N-dimethyl-2-[(4-nitrophenyl)methoxy]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H16N2O5S/c1-16(2)23(20,21)15-6-4-3-5-14(15)22-11-12-7-9-13(10-8-12)17(18)19/h3-10H,11H2,1-2H3
InChIKeyQVPLAWOLPPTXSB-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.42
Rot. Bonds6

About N,N-dimethyl-2-[(4-nitrophenyl)methoxy]benzenesulfonamide

N,N-dimethyl-2-[(4-nitrophenyl)methoxy]benzenesulfonamide (PubChem CID 175248720) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4-nitrophenyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4-nitrophenyl)methoxy]benzenesulfonamide
PubChem CID175248720
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC NameN,N-dimethyl-2-[(4-nitrophenyl)methoxy]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H16N2O5S/c1-16(2)23(20,21)15-6-4-3-5-14(15)22-11-12-7-9-13(10-8-12)17(18)19/h3-10H,11H2,1-2H3
InChIKeyQVPLAWOLPPTXSB-UHFFFAOYSA-N
XLogP2.42
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
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

1-bromo-2-[(4-nitrophenyl)methoxy]benzene
CID 24703938
1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene
CID 60627375
3-[(4-nitrophenyl)methoxy]benzene-1,2-diol
CID 139940676
N-[[2-[(4-nitrophenyl)methoxy]phenyl]methyl]aniline
CID 126118215
4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 10860151
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
4-nitro-2-phenylmethoxybenzonitrile
CID 11780048
2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile
CID 79015665
(NE)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898170
1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene
CID 19587731
2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde
CID 882524
1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene
CID 7707175

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4-nitrophenyl)methoxy]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-[(4-nitrophenyl)methoxy]benzenesulfonamide (CID 175248720) is N,N-dimethyl-2-[(4-nitrophenyl)methoxy]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[(4-nitrophenyl)methoxy]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[(4-nitrophenyl)methoxy]benzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N,N-dimethyl-2-[(4-nitrophenyl)methoxy]benzenesulfonamide?
The InChIKey is QVPLAWOLPPTXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-16(2)23(20,21)15-6-4-3-5-14(15)22-11-12-7-9-13(10-8-12)17(18)19/h3-10H,11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(4-nitrophenyl)methoxy]benzenesulfonamide?
N,N-dimethyl-2-[(4-nitrophenyl)methoxy]benzenesulfonamide has a molecular weight of 336.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4-nitrophenyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 175248720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).