3-methoxy-5-(2-nitrophenyl)sulfonylpyrido[3,2-b]indole

C18H13N3O5S — CID 56971524

IUPAC3-methoxy-5-(2-nitrophenyl)sulfonylpyrido[3,2-b]indole
SMILESCOc1cnc2c3ccccc3n(S(=O)(=O)c3ccccc3[N+](=O)[O-])c2c1
InChIInChI=1S/C18H13N3O5S/c1-26-12-10-16-18(19-11-12)13-6-2-3-7-14(13)20(16)27(24,25)17-9-5-4-8-15(17)21(22)23/h2-11H,1H3
InChIKeyHIMPZOGLCCCGIG-UHFFFAOYSA-N
MW383.39 g/mol
LogP3.34
Rot. Bonds4

About 3-methoxy-5-(2-nitrophenyl)sulfonylpyrido[3,2-b]indole

3-methoxy-5-(2-nitrophenyl)sulfonylpyrido[3,2-b]indole (PubChem CID 56971524) has the molecular formula C18H13N3O5S and a molecular weight of 383.39 g/mol. Its IUPAC name is 3-methoxy-5-(2-nitrophenyl)sulfonylpyrido[3,2-b]indole.

Molecular Properties

Compound Name3-methoxy-5-(2-nitrophenyl)sulfonylpyrido[3,2-b]indole
PubChem CID56971524
Molecular FormulaC18H13N3O5S
Molecular Weight383.39 g/mol
Exact Mass383.06
IUPAC Name3-methoxy-5-(2-nitrophenyl)sulfonylpyrido[3,2-b]indole
SMILESCOc1cnc2c3ccccc3n(S(=O)(=O)c3ccccc3[N+](=O)[O-])c2c1
InChIInChI=1S/C18H13N3O5S/c1-26-12-10-16-18(19-11-12)13-6-2-3-7-14(13)20(16)27(24,25)17-9-5-4-8-15(17)21(22)23/h2-11H,1H3
InChIKeyHIMPZOGLCCCGIG-UHFFFAOYSA-N
XLogP3.34
TPSA104.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

dimethyl (1R,11S)-12-[(4-methoxyphenyl)methyl]-9-(2-nitrophenyl)sulfonyl-13-oxa-9,12-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-15,15-dicarboxylate
CID 101489913
6-methoxy-1-(2-nitrophenyl)sulfonyl-2H-quinoline
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CID 177414771
N-ethyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzenesulfonamide
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2-[1-[1-(2-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(2-nitrophenyl)sulfonylpyrido[3,2-b]indole?
The IUPAC name of 3-methoxy-5-(2-nitrophenyl)sulfonylpyrido[3,2-b]indole (CID 56971524) is 3-methoxy-5-(2-nitrophenyl)sulfonylpyrido[3,2-b]indole.
What is the SMILES notation for 3-methoxy-5-(2-nitrophenyl)sulfonylpyrido[3,2-b]indole?
The canonical SMILES for 3-methoxy-5-(2-nitrophenyl)sulfonylpyrido[3,2-b]indole is COc1cnc2c3ccccc3n(S(=O)(=O)c3ccccc3[N+](=O)[O-])c2c1.
What is the InChIKey of 3-methoxy-5-(2-nitrophenyl)sulfonylpyrido[3,2-b]indole?
The InChIKey is HIMPZOGLCCCGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O5S/c1-26-12-10-16-18(19-11-12)13-6-2-3-7-14(13)20(16)27(24,25)17-9-5-4-8-15(17)21(22)23/h2-11H,1H3.
What are the key properties of 3-methoxy-5-(2-nitrophenyl)sulfonylpyrido[3,2-b]indole?
3-methoxy-5-(2-nitrophenyl)sulfonylpyrido[3,2-b]indole has a molecular weight of 383.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(2-nitrophenyl)sulfonylpyrido[3,2-b]indole is sourced from PubChem (CID 56971524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).