N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide

C19H19FN2O4S — CID 113084511

IUPACN-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc2c(c1)OCO2)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C19H19FN2O4S/c1-19(2,15-9-21-16-7-12(20)3-5-14(15)16)10-22-27(23,24)13-4-6-17-18(8-13)26-11-25-17/h3-9,21-22H,10-11H2,1-2H3
InChIKeyKXDJIXVKNCKLCC-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.29
Rot. Bonds5

About N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide

N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 113084511) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide
PubChem CID113084511
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC NameN-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc2c(c1)OCO2)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C19H19FN2O4S/c1-19(2,15-9-21-16-7-12(20)3-5-14(15)16)10-22-27(23,24)13-4-6-17-18(8-13)26-11-25-17/h3-9,21-22H,10-11H2,1-2H3
InChIKeyKXDJIXVKNCKLCC-UHFFFAOYSA-N
XLogP3.29
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide
CID 113084506
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide
CID 113084491
4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide
CID 113084507
3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole
CID 113084495
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
CID 113084493
N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 113084321
N-[2-(2,5-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110788208
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 71810675
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide
CID 113084487
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 113084455
4-N-(1,3-benzodioxol-5-ylmethyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 1442161
3-(6-fluoro-1H-indol-3-yl)-3-methylbutanoic acid
CID 84628087

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide (CID 113084511) is N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide is CC(C)(CNS(=O)(=O)c1ccc2c(c1)OCO2)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is KXDJIXVKNCKLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c1-19(2,15-9-21-16-7-12(20)3-5-14(15)16)10-22-27(23,24)13-4-6-17-18(8-13)26-11-25-17/h3-9,21-22H,10-11H2,1-2H3.
What are the key properties of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide?
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 390.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 113084511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).