N-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide

C18H21N5O3S — CID 113045419

IUPACN-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)Nc3ccc(N4CCCCCC4)nn3)ccc2N1
InChIInChI=1S/C18H21N5O3S/c24-18-12-13-11-14(5-6-15(13)19-18)27(25,26)22-16-7-8-17(21-20-16)23-9-3-1-2-4-10-23/h5-8,11H,1-4,9-10,12H2,(H,19,24)(H,20,22)
InChIKeyMGLMENHSSGIZCA-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.15
Rot. Bonds4

About N-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide

N-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 113045419) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID113045419
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)Nc3ccc(N4CCCCCC4)nn3)ccc2N1
InChIInChI=1S/C18H21N5O3S/c24-18-12-13-11-14(5-6-15(13)19-18)27(25,26)22-16-7-8-17(21-20-16)23-9-3-1-2-4-10-23/h5-8,11H,1-4,9-10,12H2,(H,19,24)(H,20,22)
InChIKeyMGLMENHSSGIZCA-UHFFFAOYSA-N
XLogP2.15
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(cyclopentylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113038925
2-oxo-N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 113038293
N-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113038545
N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide
CID 113045402
N-[6-(azepan-1-yl)pyridazin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113045406
6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122334820
2-oxo-N-pyridin-2-yl-1,3-dihydroindole-5-sulfonamide
CID 110756782
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113040738
2-oxo-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 113042062
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113024917
N-(5-chloropyrazin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 103580637
N-(4-chloro-2-pyridinyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115687703

Frequently Asked Questions

What is the IUPAC name of N-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 113045419) is N-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)Nc3ccc(N4CCCCCC4)nn3)ccc2N1.
What is the InChIKey of N-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is MGLMENHSSGIZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c24-18-12-13-11-14(5-6-15(13)19-18)27(25,26)22-16-7-8-17(21-20-16)23-9-3-1-2-4-10-23/h5-8,11H,1-4,9-10,12H2,(H,19,24)(H,20,22).
What are the key properties of N-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 387.47 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 113045419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).