N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide

C20H17N3O3S — CID 4930404

IUPACN-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccncc1
InChIInChI=1S/C20H17N3O3S/c24-20(16-9-12-21-13-10-16)22-17-5-7-18(8-6-17)27(25,26)23-14-11-15-3-1-2-4-19(15)23/h1-10,12-13H,11,14H2,(H,22,24)
InChIKeyMWMMYHFHPDMCAK-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.09
Rot. Bonds4

About N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide

N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide (PubChem CID 4930404) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide
PubChem CID4930404
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccncc1
InChIInChI=1S/C20H17N3O3S/c24-20(16-9-12-21-13-10-16)22-17-5-7-18(8-6-17)27(25,26)23-14-11-15-3-1-2-4-19(15)23/h1-10,12-13H,11,14H2,(H,22,24)
InChIKeyMWMMYHFHPDMCAK-UHFFFAOYSA-N
XLogP3.09
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
CID 1010301
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-nitrobenzamide
CID 1362502
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 23800625
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 109061663
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
CID 1150802
1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454424
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide
CID 4937060
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
2,4-dichloro-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]benzamide
CID 1010318

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide (CID 4930404) is N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccncc1.
What is the InChIKey of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide?
The InChIKey is MWMMYHFHPDMCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c24-20(16-9-12-21-13-10-16)22-17-5-7-18(8-6-17)27(25,26)23-14-11-15-3-1-2-4-19(15)23/h1-10,12-13H,11,14H2,(H,22,24).
What are the key properties of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide?
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 4930404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).