N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]thiophene-2-sulfonamide

C18H17N3O2S2 — CID 113036673

IUPACN-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCC1Cc2ccccc2N1c1ccc(NS(=O)(=O)c2cccs2)nc1
InChIInChI=1S/C18H17N3O2S2/c1-13-11-14-5-2-3-6-16(14)21(13)15-8-9-17(19-12-15)20-25(22,23)18-7-4-10-24-18/h2-10,12-13H,11H2,1H3,(H,19,20)
InChIKeyYLMRTZZZOKHMON-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.03
Rot. Bonds4

About N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]thiophene-2-sulfonamide

N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113036673) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID113036673
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC NameN-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCC1Cc2ccccc2N1c1ccc(NS(=O)(=O)c2cccs2)nc1
InChIInChI=1S/C18H17N3O2S2/c1-13-11-14-5-2-3-6-16(14)21(13)15-8-9-17(19-12-15)20-25(22,23)18-7-4-10-24-18/h2-10,12-13H,11H2,1H3,(H,19,20)
InChIKeyYLMRTZZZOKHMON-UHFFFAOYSA-N
XLogP4.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113036671
2-methoxy-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzamide
CID 113036618
2-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
CID 2943362
N-(5-bromo-2-pyridinyl)thiophene-2-sulfonamide
CID 778331
N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide
CID 112989553
5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide
CID 115488133
N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113031841
[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181947
N-[6-(methylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 115268517
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027386
2,3-dihydroindol-1-yl-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]methanone
CID 109197791
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113025588

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]thiophene-2-sulfonamide (CID 113036673) is N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]thiophene-2-sulfonamide is CC1Cc2ccccc2N1c1ccc(NS(=O)(=O)c2cccs2)nc1.
What is the InChIKey of N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is YLMRTZZZOKHMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-13-11-14-5-2-3-6-16(14)21(13)15-8-9-17(19-12-15)20-25(22,23)18-7-4-10-24-18/h2-10,12-13H,11H2,1H3,(H,19,20).
What are the key properties of N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]thiophene-2-sulfonamide?
N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 371.49 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113036673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).