N-[1-[(2R)-butan-2-yl]-3-(4-cyanophenyl)indol-6-yl]methanesulfonamide

C20H21N3O2S — CID 24740156

IUPACN-[1-[(2R)-butan-2-yl]-3-(4-cyanophenyl)indol-6-yl]methanesulfonamide
SMILESCC[C@@H](C)n1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C20H21N3O2S/c1-4-14(2)23-13-19(16-7-5-15(12-21)6-8-16)18-10-9-17(11-20(18)23)22-26(3,24)25/h5-11,13-14,22H,4H2,1-3H3/t14-/m1/s1
InChIKeyQFRVNOIAPBNRJM-CQSZACIVSA-N
MW367.47 g/mol
LogP4.52
Rot. Bonds5

About N-[1-[(2R)-butan-2-yl]-3-(4-cyanophenyl)indol-6-yl]methanesulfonamide

N-[1-[(2R)-butan-2-yl]-3-(4-cyanophenyl)indol-6-yl]methanesulfonamide (PubChem CID 24740156) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[1-[(2R)-butan-2-yl]-3-(4-cyanophenyl)indol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2R)-butan-2-yl]-3-(4-cyanophenyl)indol-6-yl]methanesulfonamide
PubChem CID24740156
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[1-[(2R)-butan-2-yl]-3-(4-cyanophenyl)indol-6-yl]methanesulfonamide
SMILESCC[C@@H](C)n1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C20H21N3O2S/c1-4-14(2)23-13-19(16-7-5-15(12-21)6-8-16)18-10-9-17(11-20(18)23)22-26(3,24)25/h5-11,13-14,22H,4H2,1-3H3/t14-/m1/s1
InChIKeyQFRVNOIAPBNRJM-CQSZACIVSA-N
XLogP4.52
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-butan-2-yl]-3-(4-cyanophenyl)indol-6-yl]methanesulfonamide?
The IUPAC name of N-[1-[(2R)-butan-2-yl]-3-(4-cyanophenyl)indol-6-yl]methanesulfonamide (CID 24740156) is N-[1-[(2R)-butan-2-yl]-3-(4-cyanophenyl)indol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(2R)-butan-2-yl]-3-(4-cyanophenyl)indol-6-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(2R)-butan-2-yl]-3-(4-cyanophenyl)indol-6-yl]methanesulfonamide is CC[C@@H](C)n1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21.
What is the InChIKey of N-[1-[(2R)-butan-2-yl]-3-(4-cyanophenyl)indol-6-yl]methanesulfonamide?
The InChIKey is QFRVNOIAPBNRJM-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-4-14(2)23-13-19(16-7-5-15(12-21)6-8-16)18-10-9-17(11-20(18)23)22-26(3,24)25/h5-11,13-14,22H,4H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[1-[(2R)-butan-2-yl]-3-(4-cyanophenyl)indol-6-yl]methanesulfonamide?
N-[1-[(2R)-butan-2-yl]-3-(4-cyanophenyl)indol-6-yl]methanesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-butan-2-yl]-3-(4-cyanophenyl)indol-6-yl]methanesulfonamide is sourced from PubChem (CID 24740156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).