N-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]methanesulfonamide

C21H17N3O3S — CID 15602988

IUPACN-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(=O)c2cccnc2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C21H17N3O3S/c1-28(26,27)24-17-11-15(18-5-2-6-20-19(18)7-9-23-20)10-16(12-17)21(25)14-4-3-8-22-13-14/h2-13,23-24H,1H3
InChIKeyJYJOJOKCWSSGJL-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.83
Rot. Bonds5

About N-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]methanesulfonamide

N-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]methanesulfonamide (PubChem CID 15602988) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]methanesulfonamide
PubChem CID15602988
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(=O)c2cccnc2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C21H17N3O3S/c1-28(26,27)24-17-11-15(18-5-2-6-20-19(18)7-9-23-20)10-16(12-17)21(25)14-4-3-8-22-13-14/h2-13,23-24H,1H3
InChIKeyJYJOJOKCWSSGJL-UHFFFAOYSA-N
XLogP3.83
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]methanesulfonamide (CID 15602988) is N-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(C(=O)c2cccnc2)cc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of N-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]methanesulfonamide?
The InChIKey is JYJOJOKCWSSGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-28(26,27)24-17-11-15(18-5-2-6-20-19(18)7-9-23-20)10-16(12-17)21(25)14-4-3-8-22-13-14/h2-13,23-24H,1H3.
What are the key properties of N-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]methanesulfonamide?
N-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]methanesulfonamide has a molecular weight of 391.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 15602988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).