N-[3-[(4-cyanophenyl)methylsulfonyl]-1H-indol-6-yl]methanesulfonamide

C17H15N3O4S2 — CID 71179158

IUPACN-[3-[(4-cyanophenyl)methylsulfonyl]-1H-indol-6-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(S(=O)(=O)Cc3ccc(C#N)cc3)c[nH]c2c1
InChIInChI=1S/C17H15N3O4S2/c1-25(21,22)20-14-6-7-15-16(8-14)19-10-17(15)26(23,24)11-13-4-2-12(9-18)3-5-13/h2-8,10,19-20H,11H2,1H3
InChIKeyOZOZRAGGOPMFHU-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.38
Rot. Bonds5

About N-[3-[(4-cyanophenyl)methylsulfonyl]-1H-indol-6-yl]methanesulfonamide

N-[3-[(4-cyanophenyl)methylsulfonyl]-1H-indol-6-yl]methanesulfonamide (PubChem CID 71179158) has the molecular formula C17H15N3O4S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[3-[(4-cyanophenyl)methylsulfonyl]-1H-indol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(4-cyanophenyl)methylsulfonyl]-1H-indol-6-yl]methanesulfonamide
PubChem CID71179158
Molecular FormulaC17H15N3O4S2
Molecular Weight389.46 g/mol
Exact Mass389.05
IUPAC NameN-[3-[(4-cyanophenyl)methylsulfonyl]-1H-indol-6-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(S(=O)(=O)Cc3ccc(C#N)cc3)c[nH]c2c1
InChIInChI=1S/C17H15N3O4S2/c1-25(21,22)20-14-6-7-15-16(8-14)19-10-17(15)26(23,24)11-13-4-2-12(9-18)3-5-13/h2-8,10,19-20H,11H2,1H3
InChIKeyOZOZRAGGOPMFHU-UHFFFAOYSA-N
XLogP2.38
TPSA119.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-cyanophenyl)methylsulfonyl]-1H-indol-6-yl]methanesulfonamide?
The IUPAC name of N-[3-[(4-cyanophenyl)methylsulfonyl]-1H-indol-6-yl]methanesulfonamide (CID 71179158) is N-[3-[(4-cyanophenyl)methylsulfonyl]-1H-indol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[(4-cyanophenyl)methylsulfonyl]-1H-indol-6-yl]methanesulfonamide?
The canonical SMILES for N-[3-[(4-cyanophenyl)methylsulfonyl]-1H-indol-6-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2c(S(=O)(=O)Cc3ccc(C#N)cc3)c[nH]c2c1.
What is the InChIKey of N-[3-[(4-cyanophenyl)methylsulfonyl]-1H-indol-6-yl]methanesulfonamide?
The InChIKey is OZOZRAGGOPMFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S2/c1-25(21,22)20-14-6-7-15-16(8-14)19-10-17(15)26(23,24)11-13-4-2-12(9-18)3-5-13/h2-8,10,19-20H,11H2,1H3.
What are the key properties of N-[3-[(4-cyanophenyl)methylsulfonyl]-1H-indol-6-yl]methanesulfonamide?
N-[3-[(4-cyanophenyl)methylsulfonyl]-1H-indol-6-yl]methanesulfonamide has a molecular weight of 389.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-cyanophenyl)methylsulfonyl]-1H-indol-6-yl]methanesulfonamide is sourced from PubChem (CID 71179158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).