N-(2-chloroprop-2-enyl)-2-methoxy-4-nitrobenzenesulfonamide

C10H11ClN2O5S — CID 113238992

IUPACN-(2-chloroprop-2-enyl)-2-methoxy-4-nitrobenzenesulfonamide
SMILESC=C(Cl)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C10H11ClN2O5S/c1-7(11)6-12-19(16,17)10-4-3-8(13(14)15)5-9(10)18-2/h3-5,12H,1,6H2,2H3
InChIKeyRHQCIKPFMKLFHQ-UHFFFAOYSA-N
MW306.73 g/mol
LogP1.63
Rot. Bonds6

About N-(2-chloroprop-2-enyl)-2-methoxy-4-nitrobenzenesulfonamide

N-(2-chloroprop-2-enyl)-2-methoxy-4-nitrobenzenesulfonamide (PubChem CID 113238992) has the molecular formula C10H11ClN2O5S and a molecular weight of 306.73 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-methoxy-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-methoxy-4-nitrobenzenesulfonamide
PubChem CID113238992
Molecular FormulaC10H11ClN2O5S
Molecular Weight306.73 g/mol
Exact Mass306.01
IUPAC NameN-(2-chloroprop-2-enyl)-2-methoxy-4-nitrobenzenesulfonamide
SMILESC=C(Cl)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C10H11ClN2O5S/c1-7(11)6-12-19(16,17)10-4-3-8(13(14)15)5-9(10)18-2/h3-5,12H,1,6H2,2H3
InChIKeyRHQCIKPFMKLFHQ-UHFFFAOYSA-N
XLogP1.63
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 51.63
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'}

Analyze N-(2-chloroprop-2-enyl)-2-methoxy-4-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-hydroxypentyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 107319404
6-[(2-methoxy-4-nitrophenyl)sulfonylamino]hexanoic acid
CID 13192117
N-(2-amino-2-methylpropyl)-2-methoxy-4-nitrobenzenesulfonamide;hydrochloride
CID 119988044
N-(2-hydroxy-2-methylbutyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 65113305
2-methoxy-N-[(4-methylphenyl)methyl]-4-nitrobenzenesulfonamide
CID 39619479
N-(2-hydroxypentyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 115754448
N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-nitrobenzenesulfonamide
CID 43501815
N-(2-chloroprop-2-enyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 115638692
2-(2-methoxy-4-nitrophenyl)sulfonylethanol
CID 172600359
N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide
CID 113238601
N-(4-hydroxy-3-methylbutan-2-yl)-2-methoxy-4-nitrobenzenesulfonamide
CID 115754770
2-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-nitrobenzenesulfonamide
CID 55915160

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-methoxy-4-nitrobenzenesulfonamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-methoxy-4-nitrobenzenesulfonamide (CID 113238992) is N-(2-chloroprop-2-enyl)-2-methoxy-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-methoxy-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-methoxy-4-nitrobenzenesulfonamide is C=C(Cl)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-methoxy-4-nitrobenzenesulfonamide?
The InChIKey is RHQCIKPFMKLFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O5S/c1-7(11)6-12-19(16,17)10-4-3-8(13(14)15)5-9(10)18-2/h3-5,12H,1,6H2,2H3.
What are the key properties of N-(2-chloroprop-2-enyl)-2-methoxy-4-nitrobenzenesulfonamide?
N-(2-chloroprop-2-enyl)-2-methoxy-4-nitrobenzenesulfonamide has a molecular weight of 306.73 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-methoxy-4-nitrobenzenesulfonamide is sourced from PubChem (CID 113238992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).