N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C23H26N2O2S — CID 113084870

IUPACN-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN(CC1(c2c[nH]c3ccccc23)CC1)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H26N2O2S/c1-25(28(26,27)19-11-10-17-6-2-3-7-18(17)14-19)16-23(12-13-23)21-15-24-22-9-5-4-8-20(21)22/h4-5,8-11,14-15,24H,2-3,6-7,12-13,16H2,1H3
InChIKeyVARPCSPGTFGWPJ-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.40
Rot. Bonds5

About N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 113084870) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID113084870
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC NameN-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN(CC1(c2c[nH]c3ccccc23)CC1)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H26N2O2S/c1-25(28(26,27)19-11-10-17-6-2-3-7-18(17)14-19)16-23(12-13-23)21-15-24-22-9-5-4-8-20(21)22/h4-5,8-11,14-15,24H,2-3,6-7,12-13,16H2,1H3
InChIKeyVARPCSPGTFGWPJ-UHFFFAOYSA-N
XLogP4.40
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 113084870) is N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CN(CC1(c2c[nH]c3ccccc23)CC1)S(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is VARPCSPGTFGWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-25(28(26,27)19-11-10-17-6-2-3-7-18(17)14-19)16-23(12-13-23)21-15-24-22-9-5-4-8-20(21)22/h4-5,8-11,14-15,24H,2-3,6-7,12-13,16H2,1H3.
What are the key properties of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 394.54 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 113084870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).