N-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide

C14H15N5O3S — CID 623791

IUPACN-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide
SMILESNCCNS(=O)(=O)c1ccc2c(c1)C(=O)Nc1cccnc1N2
InChIInChI=1S/C14H15N5O3S/c15-5-7-17-23(21,22)9-3-4-11-10(8-9)14(20)19-12-2-1-6-16-13(12)18-11/h1-4,6,8,17H,5,7,15H2,(H,16,18)(H,19,20)
InChIKeyDTRCJLPZVQVGQM-UHFFFAOYSA-N
MW333.37 g/mol
LogP0.63
Rot. Bonds4

About N-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide

N-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide (PubChem CID 623791) has the molecular formula C14H15N5O3S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide
PubChem CID623791
Molecular FormulaC14H15N5O3S
Molecular Weight333.37 g/mol
Exact Mass333.09
IUPAC NameN-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide
SMILESNCCNS(=O)(=O)c1ccc2c(c1)C(=O)Nc1cccnc1N2
InChIInChI=1S/C14H15N5O3S/c15-5-7-17-23(21,22)9-3-4-11-10(8-9)14(20)19-12-2-1-6-16-13(12)18-11/h1-4,6,8,17H,5,7,15H2,(H,16,18)(H,19,20)
InChIKeyDTRCJLPZVQVGQM-UHFFFAOYSA-N
XLogP0.63
TPSA126.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 82355108
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CID 3694272
N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 28754114
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CID 50759991
N-[(1-ethylcyclopropyl)methyl]-2,3-dioxo-1H-indole-5-sulfonamide
CID 126803443
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide (CID 623791) is N-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide is NCCNS(=O)(=O)c1ccc2c(c1)C(=O)Nc1cccnc1N2.
What is the InChIKey of N-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide?
The InChIKey is DTRCJLPZVQVGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S/c15-5-7-17-23(21,22)9-3-4-11-10(8-9)14(20)19-12-2-1-6-16-13(12)18-11/h1-4,6,8,17H,5,7,15H2,(H,16,18)(H,19,20).
What are the key properties of N-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide?
N-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide has a molecular weight of 333.37 g/mol, XLogP of 0.63, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide is sourced from PubChem (CID 623791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).