N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-fluoro-1H-indole-3-sulfonamide

C15H18FN5O2S — CID 166232708

IUPACN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-fluoro-1H-indole-3-sulfonamide
SMILESCN(C)c1ncc(CNS(=O)(=O)c2c[nH]c3cccc(F)c23)n1C
InChIInChI=1S/C15H18FN5O2S/c1-20(2)15-18-7-10(21(15)3)8-19-24(22,23)13-9-17-12-6-4-5-11(16)14(12)13/h4-7,9,17,19H,8H2,1-3H3
InChIKeyNGOIKTCVENZVEY-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.59
Rot. Bonds5

About N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-fluoro-1H-indole-3-sulfonamide

N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-fluoro-1H-indole-3-sulfonamide (PubChem CID 166232708) has the molecular formula C15H18FN5O2S and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-fluoro-1H-indole-3-sulfonamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-fluoro-1H-indole-3-sulfonamide
PubChem CID166232708
Molecular FormulaC15H18FN5O2S
Molecular Weight351.41 g/mol
Exact Mass351.12
IUPAC NameN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-fluoro-1H-indole-3-sulfonamide
SMILESCN(C)c1ncc(CNS(=O)(=O)c2c[nH]c3cccc(F)c23)n1C
InChIInChI=1S/C15H18FN5O2S/c1-20(2)15-18-7-10(21(15)3)8-19-24(22,23)13-9-17-12-6-4-5-11(16)14(12)13/h4-7,9,17,19H,8H2,1-3H3
InChIKeyNGOIKTCVENZVEY-UHFFFAOYSA-N
XLogP1.59
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-fluoro-1H-indole-3-sulfonamide?
The IUPAC name of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-fluoro-1H-indole-3-sulfonamide (CID 166232708) is N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-fluoro-1H-indole-3-sulfonamide.
What is the SMILES notation for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-fluoro-1H-indole-3-sulfonamide?
The canonical SMILES for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-fluoro-1H-indole-3-sulfonamide is CN(C)c1ncc(CNS(=O)(=O)c2c[nH]c3cccc(F)c23)n1C.
What is the InChIKey of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-fluoro-1H-indole-3-sulfonamide?
The InChIKey is NGOIKTCVENZVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2S/c1-20(2)15-18-7-10(21(15)3)8-19-24(22,23)13-9-17-12-6-4-5-11(16)14(12)13/h4-7,9,17,19H,8H2,1-3H3.
What are the key properties of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-fluoro-1H-indole-3-sulfonamide?
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-fluoro-1H-indole-3-sulfonamide has a molecular weight of 351.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-fluoro-1H-indole-3-sulfonamide is sourced from PubChem (CID 166232708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).