N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzenesulfonamide

C18H20N2O3S — CID 4155588

IUPACN-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc3c(c2)cc(C)n3C)cc1
InChIInChI=1S/C18H20N2O3S/c1-13-10-15-11-14(4-9-18(15)20(13)2)12-19-24(21,22)17-7-5-16(23-3)6-8-17/h4-11,19H,12H2,1-3H3
InChIKeyCNISVKFXGVWDNN-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.97
Rot. Bonds5

About N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzenesulfonamide

N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 4155588) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzenesulfonamide
PubChem CID4155588
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc3c(c2)cc(C)n3C)cc1
InChIInChI=1S/C18H20N2O3S/c1-13-10-15-11-14(4-9-18(15)20(13)2)12-19-24(21,22)17-7-5-16(23-3)6-8-17/h4-11,19H,12H2,1-3H3
InChIKeyCNISVKFXGVWDNN-UHFFFAOYSA-N
XLogP2.97
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzenesulfonamide (CID 4155588) is N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc3c(c2)cc(C)n3C)cc1.
What is the InChIKey of N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is CNISVKFXGVWDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-10-15-11-14(4-9-18(15)20(13)2)12-19-24(21,22)17-7-5-16(23-3)6-8-17/h4-11,19H,12H2,1-3H3.
What are the key properties of N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzenesulfonamide?
N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-5-yl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 4155588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).