N-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide

C26H22N4O3S — CID 58855813

IUPACN-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide
SMILESO=C(NCC1=CC=CNN1)c1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C26H22N4O3S/c31-26(27-17-21-9-6-16-28-29-21)20-12-14-22(15-13-20)34(32,33)30-18-24(19-7-2-1-3-8-19)23-10-4-5-11-25(23)30/h1-16,18,28-29H,17H2,(H,27,31)
InChIKeyUXESJOOVEJCMOE-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.78
Rot. Bonds6

About N-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide

N-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide (PubChem CID 58855813) has the molecular formula C26H22N4O3S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide
PubChem CID58855813
Molecular FormulaC26H22N4O3S
Molecular Weight470.55 g/mol
Exact Mass470.14
IUPAC NameN-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide
SMILESO=C(NCC1=CC=CNN1)c1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C26H22N4O3S/c31-26(27-17-21-9-6-16-28-29-21)20-12-14-22(15-13-20)34(32,33)30-18-24(19-7-2-1-3-8-19)23-10-4-5-11-25(23)30/h1-16,18,28-29H,17H2,(H,27,31)
InChIKeyUXESJOOVEJCMOE-UHFFFAOYSA-N
XLogP3.78
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide
CID 58975151
N-(2-methylbutyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide
CID 58975055
N-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide
CID 58975171
N-[1-(4-methylphenyl)azetidin-3-yl]-4-(3-phenylindol-1-yl)sulfonylbenzamide
CID 58855815
4-(3-acetylindol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 58975029
4-[[[1-(benzenesulfonyl)indole-3-carbonyl]amino]methyl]benzoic acid
CID 174661053
[3-(4-fluoroanilino)pyrrolidin-1-yl]-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone
CID 67023311
N-[(4-fluorophenyl)methyl]-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]sulfonylbenzamide
CID 58975028
(4,4-difluoropiperidin-1-yl)-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone
CID 58975205
1-(benzenesulfonyl)-3-pyridin-4-ylindole
CID 162652278
[3-[[(6-fluoro-2-pyridinyl)amino]methyl]azetidin-1-yl]-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone
CID 58975016
4-[3-(oxan-4-yl)indol-1-yl]sulfonyl-N-(oxan-2-ylmethyl)benzamide
CID 58975069

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide?
The IUPAC name of N-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide (CID 58855813) is N-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide is O=C(NCC1=CC=CNN1)c1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of N-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide?
The InChIKey is UXESJOOVEJCMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3S/c31-26(27-17-21-9-6-16-28-29-21)20-12-14-22(15-13-20)34(32,33)30-18-24(19-7-2-1-3-8-19)23-10-4-5-11-25(23)30/h1-16,18,28-29H,17H2,(H,27,31).
What are the key properties of N-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide?
N-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide has a molecular weight of 470.55 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide is sourced from PubChem (CID 58855813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).