N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]butane-1-sulfonamide

C22H26N2O2S — CID 132514630

IUPACN-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N/C=C(/c1ccccc1)c1c(C)n(C)c2ccccc12
InChIInChI=1S/C22H26N2O2S/c1-4-5-15-27(25,26)23-16-20(18-11-7-6-8-12-18)22-17(2)24(3)21-14-10-9-13-19(21)22/h6-14,16,23H,4-5,15H2,1-3H3/b20-16-
InChIKeyLATSIHHWWJXKCN-SILNSSARSA-N
MW382.53 g/mol
LogP4.60
Rot. Bonds7

About N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]butane-1-sulfonamide

N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]butane-1-sulfonamide (PubChem CID 132514630) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]butane-1-sulfonamide
PubChem CID132514630
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC NameN-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N/C=C(/c1ccccc1)c1c(C)n(C)c2ccccc12
InChIInChI=1S/C22H26N2O2S/c1-4-5-15-27(25,26)23-16-20(18-11-7-6-8-12-18)22-17(2)24(3)21-14-10-9-13-19(21)22/h6-14,16,23H,4-5,15H2,1-3H3/b20-16-
InChIKeyLATSIHHWWJXKCN-SILNSSARSA-N
XLogP4.60
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]butane-1-sulfonamide?
The IUPAC name of N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]butane-1-sulfonamide (CID 132514630) is N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]butane-1-sulfonamide?
The canonical SMILES for N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]butane-1-sulfonamide is CCCCS(=O)(=O)N/C=C(/c1ccccc1)c1c(C)n(C)c2ccccc12.
What is the InChIKey of N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]butane-1-sulfonamide?
The InChIKey is LATSIHHWWJXKCN-SILNSSARSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-4-5-15-27(25,26)23-16-20(18-11-7-6-8-12-18)22-17(2)24(3)21-14-10-9-13-19(21)22/h6-14,16,23H,4-5,15H2,1-3H3/b20-16-.
What are the key properties of N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]butane-1-sulfonamide?
N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]butane-1-sulfonamide has a molecular weight of 382.53 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]butane-1-sulfonamide is sourced from PubChem (CID 132514630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).