methyl 9-(benzenesulfonyl)pyrido[2,3-b]indole-5-carboxylate

C19H14N2O4S — CID 23243189

IUPACmethyl 9-(benzenesulfonyl)pyrido[2,3-b]indole-5-carboxylate
SMILESCOC(=O)c1cccc2c1c1cccnc1n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H14N2O4S/c1-25-19(22)15-9-5-11-16-17(15)14-10-6-12-20-18(14)21(16)26(23,24)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyYINUNNYXPWKHIZ-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.21
Rot. Bonds3

About methyl 9-(benzenesulfonyl)pyrido[2,3-b]indole-5-carboxylate

methyl 9-(benzenesulfonyl)pyrido[2,3-b]indole-5-carboxylate (PubChem CID 23243189) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is methyl 9-(benzenesulfonyl)pyrido[2,3-b]indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 9-(benzenesulfonyl)pyrido[2,3-b]indole-5-carboxylate
PubChem CID23243189
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC Namemethyl 9-(benzenesulfonyl)pyrido[2,3-b]indole-5-carboxylate
SMILESCOC(=O)c1cccc2c1c1cccnc1n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H14N2O4S/c1-25-19(22)15-9-5-11-16-17(15)14-10-6-12-20-18(14)21(16)26(23,24)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyYINUNNYXPWKHIZ-UHFFFAOYSA-N
XLogP3.21
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 9-(benzenesulfonyl)pyrido[2,3-b]indole-5-carboxylate?
The IUPAC name of methyl 9-(benzenesulfonyl)pyrido[2,3-b]indole-5-carboxylate (CID 23243189) is methyl 9-(benzenesulfonyl)pyrido[2,3-b]indole-5-carboxylate.
What is the SMILES notation for methyl 9-(benzenesulfonyl)pyrido[2,3-b]indole-5-carboxylate?
The canonical SMILES for methyl 9-(benzenesulfonyl)pyrido[2,3-b]indole-5-carboxylate is COC(=O)c1cccc2c1c1cccnc1n2S(=O)(=O)c1ccccc1.
What is the InChIKey of methyl 9-(benzenesulfonyl)pyrido[2,3-b]indole-5-carboxylate?
The InChIKey is YINUNNYXPWKHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S/c1-25-19(22)15-9-5-11-16-17(15)14-10-6-12-20-18(14)21(16)26(23,24)13-7-3-2-4-8-13/h2-12H,1H3.
What are the key properties of methyl 9-(benzenesulfonyl)pyrido[2,3-b]indole-5-carboxylate?
methyl 9-(benzenesulfonyl)pyrido[2,3-b]indole-5-carboxylate has a molecular weight of 366.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(benzenesulfonyl)pyrido[2,3-b]indole-5-carboxylate is sourced from PubChem (CID 23243189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).