4-[(1-ethylindol-5-yl)sulfonylamino]-N-(1-fluoro-2-methylpropan-2-yl)benzamide

C21H24FN3O3S — CID 18343238

IUPAC4-[(1-ethylindol-5-yl)sulfonylamino]-N-(1-fluoro-2-methylpropan-2-yl)benzamide
SMILESCCn1ccc2cc(S(=O)(=O)Nc3ccc(C(=O)NC(C)(C)CF)cc3)ccc21
InChIInChI=1S/C21H24FN3O3S/c1-4-25-12-11-16-13-18(9-10-19(16)25)29(27,28)24-17-7-5-15(6-8-17)20(26)23-21(2,3)14-22/h5-13,24H,4,14H2,1-3H3,(H,23,26)
InChIKeyGMTLQKOIXQLENS-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.94
Rot. Bonds7

About 4-[(1-ethylindol-5-yl)sulfonylamino]-N-(1-fluoro-2-methylpropan-2-yl)benzamide

4-[(1-ethylindol-5-yl)sulfonylamino]-N-(1-fluoro-2-methylpropan-2-yl)benzamide (PubChem CID 18343238) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[(1-ethylindol-5-yl)sulfonylamino]-N-(1-fluoro-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(1-ethylindol-5-yl)sulfonylamino]-N-(1-fluoro-2-methylpropan-2-yl)benzamide
PubChem CID18343238
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC Name4-[(1-ethylindol-5-yl)sulfonylamino]-N-(1-fluoro-2-methylpropan-2-yl)benzamide
SMILESCCn1ccc2cc(S(=O)(=O)Nc3ccc(C(=O)NC(C)(C)CF)cc3)ccc21
InChIInChI=1S/C21H24FN3O3S/c1-4-25-12-11-16-13-18(9-10-19(16)25)29(27,28)24-17-7-5-15(6-8-17)20(26)23-21(2,3)14-22/h5-13,24H,4,14H2,1-3H3,(H,23,26)
InChIKeyGMTLQKOIXQLENS-UHFFFAOYSA-N
XLogP3.94
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(chloromethyl)indol-5-yl]sulfonylamino]-N-(3-chloropentan-3-yl)benzamide
CID 142025006
4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide
CID 94621798
N-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 49189146
3-chloro-5-[(1-ethylindol-5-yl)sulfamoyl]-2-hydroxybenzamide
CID 130406144
N-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide
CID 24663107
N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119524777
N-[1-[2-(diethylamino)ethyl]indol-5-yl]naphthalene-2-sulfonamide
CID 11270131
1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide
CID 126776307
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080
3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 112838614
4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide
CID 47516564
4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide
CID 11676162

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylindol-5-yl)sulfonylamino]-N-(1-fluoro-2-methylpropan-2-yl)benzamide?
The IUPAC name of 4-[(1-ethylindol-5-yl)sulfonylamino]-N-(1-fluoro-2-methylpropan-2-yl)benzamide (CID 18343238) is 4-[(1-ethylindol-5-yl)sulfonylamino]-N-(1-fluoro-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 4-[(1-ethylindol-5-yl)sulfonylamino]-N-(1-fluoro-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 4-[(1-ethylindol-5-yl)sulfonylamino]-N-(1-fluoro-2-methylpropan-2-yl)benzamide is CCn1ccc2cc(S(=O)(=O)Nc3ccc(C(=O)NC(C)(C)CF)cc3)ccc21.
What is the InChIKey of 4-[(1-ethylindol-5-yl)sulfonylamino]-N-(1-fluoro-2-methylpropan-2-yl)benzamide?
The InChIKey is GMTLQKOIXQLENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c1-4-25-12-11-16-13-18(9-10-19(16)25)29(27,28)24-17-7-5-15(6-8-17)20(26)23-21(2,3)14-22/h5-13,24H,4,14H2,1-3H3,(H,23,26).
What are the key properties of 4-[(1-ethylindol-5-yl)sulfonylamino]-N-(1-fluoro-2-methylpropan-2-yl)benzamide?
4-[(1-ethylindol-5-yl)sulfonylamino]-N-(1-fluoro-2-methylpropan-2-yl)benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylindol-5-yl)sulfonylamino]-N-(1-fluoro-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 18343238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).