N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide

C21H23N3O3S — CID 11625428

IUPACN-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C21H23N3O3S/c1-5-24-20-12-17(27-4)10-11-18(20)19(13-22)21(24)15-6-8-16(9-7-15)23-28(25,26)14(2)3/h6-12,14,23H,5H2,1-4H3
InChIKeyODOHTPMTPOTYBM-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.36
Rot. Bonds6

About N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide

N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide (PubChem CID 11625428) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide
PubChem CID11625428
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C21H23N3O3S/c1-5-24-20-12-17(27-4)10-11-18(20)19(13-22)21(24)15-6-8-16(9-7-15)23-28(25,26)14(2)3/h6-12,14,23H,5H2,1-4H3
InChIKeyODOHTPMTPOTYBM-UHFFFAOYSA-N
XLogP4.36
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide?
The IUPAC name of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide (CID 11625428) is N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide is CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide?
The InChIKey is ODOHTPMTPOTYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-5-24-20-12-17(27-4)10-11-18(20)19(13-22)21(24)15-6-8-16(9-7-15)23-28(25,26)14(2)3/h6-12,14,23H,5H2,1-4H3.
What are the key properties of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide?
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide is sourced from PubChem (CID 11625428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).