5-chloro-2-methoxy-N-(2-nitrophenyl)sulfanylaniline

C13H11ClN2O3S — CID 2315904

IUPAC5-chloro-2-methoxy-N-(2-nitrophenyl)sulfanylaniline
SMILESCOc1ccc(Cl)cc1NSc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H11ClN2O3S/c1-19-12-7-6-9(14)8-10(12)15-20-13-5-3-2-4-11(13)16(17)18/h2-8,15H,1H3
InChIKeyIUFFPPOYHKRLOE-UHFFFAOYSA-N
MW310.76 g/mol
LogP4.38
Rot. Bonds5

About 5-chloro-2-methoxy-N-(2-nitrophenyl)sulfanylaniline

5-chloro-2-methoxy-N-(2-nitrophenyl)sulfanylaniline (PubChem CID 2315904) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(2-nitrophenyl)sulfanylaniline.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(2-nitrophenyl)sulfanylaniline
PubChem CID2315904
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Name5-chloro-2-methoxy-N-(2-nitrophenyl)sulfanylaniline
SMILESCOc1ccc(Cl)cc1NSc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H11ClN2O3S/c1-19-12-7-6-9(14)8-10(12)15-20-13-5-3-2-4-11(13)16(17)18/h2-8,15H,1H3
InChIKeyIUFFPPOYHKRLOE-UHFFFAOYSA-N
XLogP4.38
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 54.38
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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloro-2-methoxy-N-(2-nitrophenyl)sulfanylaniline 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

4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide
CID 789181
N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide
CID 2833332
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-methyl-3-nitrobenzoate
CID 2564402
2-iodo-N-(2-nitrophenyl)sulfanylaniline
CID 91134884
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626869
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide
CID 26267184
N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80912402
5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 885071
1-(2-methoxy-5-nitrophenyl)-3-[2,2,2-trichloro-1-[(2-nitrophenyl)sulfanylamino]ethyl]thiourea
CID 3728853
1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol
CID 63017859
N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 2268452
4-N-(5-chloro-2-methoxyphenyl)-5-nitro-6-N-phenylpyrimidine-4,6-diamine
CID 23484648

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(2-nitrophenyl)sulfanylaniline?
The IUPAC name of 5-chloro-2-methoxy-N-(2-nitrophenyl)sulfanylaniline (CID 2315904) is 5-chloro-2-methoxy-N-(2-nitrophenyl)sulfanylaniline.
What is the SMILES notation for 5-chloro-2-methoxy-N-(2-nitrophenyl)sulfanylaniline?
The canonical SMILES for 5-chloro-2-methoxy-N-(2-nitrophenyl)sulfanylaniline is COc1ccc(Cl)cc1NSc1ccccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-2-methoxy-N-(2-nitrophenyl)sulfanylaniline?
The InChIKey is IUFFPPOYHKRLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-19-12-7-6-9(14)8-10(12)15-20-13-5-3-2-4-11(13)16(17)18/h2-8,15H,1H3.
What are the key properties of 5-chloro-2-methoxy-N-(2-nitrophenyl)sulfanylaniline?
5-chloro-2-methoxy-N-(2-nitrophenyl)sulfanylaniline has a molecular weight of 310.76 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(2-nitrophenyl)sulfanylaniline is sourced from PubChem (CID 2315904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).