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

C18H17N3O2S2 — CID 113031841

IUPACN-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCc4ccccc43)cn2)s1
InChIInChI=1S/C18H17N3O2S2/c1-13-6-9-18(24-13)25(22,23)20-17-8-7-15(12-19-17)21-11-10-14-4-2-3-5-16(14)21/h2-9,12H,10-11H2,1H3,(H,19,20)
InChIKeyZSPPONXKUBJUEN-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.95
Rot. Bonds4

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

N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-5-methylthiophene-2-sulfonamide (PubChem CID 113031841) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
PubChem CID113031841
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC NameN-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCc4ccccc43)cn2)s1
InChIInChI=1S/C18H17N3O2S2/c1-13-6-9-18(24-13)25(22,23)20-17-8-7-15(12-19-17)21-11-10-14-4-2-3-5-16(14)21/h2-9,12H,10-11H2,1H3,(H,19,20)
InChIKeyZSPPONXKUBJUEN-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-5-methylthiophene-2-sulfonamide (CID 113031841) is N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N3CCc4ccccc43)cn2)s1.
What is the InChIKey of N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is ZSPPONXKUBJUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-13-6-9-18(24-13)25(22,23)20-17-8-7-15(12-19-17)21-11-10-14-4-2-3-5-16(14)21/h2-9,12H,10-11H2,1H3,(H,19,20).
What are the key properties of N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-5-methylthiophene-2-sulfonamide?
N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 371.49 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 113031841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).