N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]-4-methoxybenzenesulfonamide

C25H24N2O3S — CID 132514627

IUPACN-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/C=C(/c2ccccc2)c2c(C)n(C)c3ccccc23)cc1
InChIInChI=1S/C25H24N2O3S/c1-18-25(22-11-7-8-12-24(22)27(18)2)23(19-9-5-4-6-10-19)17-26-31(28,29)21-15-13-20(30-3)14-16-21/h4-17,26H,1-3H3/b23-17-
InChIKeyREBDFTPKPXBCJS-QJOMJCCJSA-N
MW432.55 g/mol
LogP4.86
Rot. Bonds6

About N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]-4-methoxybenzenesulfonamide

N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]-4-methoxybenzenesulfonamide (PubChem CID 132514627) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]-4-methoxybenzenesulfonamide
PubChem CID132514627
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/C=C(/c2ccccc2)c2c(C)n(C)c3ccccc23)cc1
InChIInChI=1S/C25H24N2O3S/c1-18-25(22-11-7-8-12-24(22)27(18)2)23(19-9-5-4-6-10-19)17-26-31(28,29)21-15-13-20(30-3)14-16-21/h4-17,26H,1-3H3/b23-17-
InChIKeyREBDFTPKPXBCJS-QJOMJCCJSA-N
XLogP4.86
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]butane-1-sulfonamide
CID 132514630
N-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide
CID 122398695
1-(benzenesulfonyl)-3-[(Z)-1-(4-methoxyphenyl)-2-phenylethenyl]-2-methylindole
CID 139067948
2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 7087278
N-[(E)-2-(4-ethoxyphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide
CID 122398699
1-(4-methoxyphenyl)-2-methylindole-3-carboxylic acid
CID 172684717
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline
CID 110509075
[3-(4-methoxyphenyl)-1-methyl-2-oxoquinolin-4-yl] 4-methylbenzenesulfonate
CID 101435857
N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 3388041
4-methoxy-N-(2-methylpenta-1,4-dienyl)benzenesulfonamide
CID 70074823
2-(1,2-dimethylindol-3-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-oxoacetamide
CID 16800790
4-methoxy-N-phenylbenzenesulfonamide
CID 835273

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]-4-methoxybenzenesulfonamide (CID 132514627) is N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N/C=C(/c2ccccc2)c2c(C)n(C)c3ccccc23)cc1.
What is the InChIKey of N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]-4-methoxybenzenesulfonamide?
The InChIKey is REBDFTPKPXBCJS-QJOMJCCJSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-18-25(22-11-7-8-12-24(22)27(18)2)23(19-9-5-4-6-10-19)17-26-31(28,29)21-15-13-20(30-3)14-16-21/h4-17,26H,1-3H3/b23-17-.
What are the key properties of N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]-4-methoxybenzenesulfonamide?
N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]-4-methoxybenzenesulfonamide has a molecular weight of 432.55 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 132514627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).