5-bromo-N-(2-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide

C18H15BrClFN2O3S — CID 46505031

IUPAC5-bromo-N-(2-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide
SMILESO=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(F)cc3Cl)cc21
InChIInChI=1S/C18H15BrClFN2O3S/c19-13-7-11-5-6-23(18(24)10-1-2-10)16(11)9-17(13)27(25,26)22-15-4-3-12(21)8-14(15)20/h3-4,7-10,22H,1-2,5-6H2
InChIKeyMYWRVCWCDIRBFX-UHFFFAOYSA-N
MW473.75 g/mol
LogP4.34
Rot. Bonds4

About 5-bromo-N-(2-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide

5-bromo-N-(2-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 46505031) has the molecular formula C18H15BrClFN2O3S and a molecular weight of 473.75 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide
PubChem CID46505031
Molecular FormulaC18H15BrClFN2O3S
Molecular Weight473.75 g/mol
Exact Mass471.97
IUPAC Name5-bromo-N-(2-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide
SMILESO=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(F)cc3Cl)cc21
InChIInChI=1S/C18H15BrClFN2O3S/c19-13-7-11-5-6-23(18(24)10-1-2-10)16(11)9-17(13)27(25,26)22-15-4-3-12(21)8-14(15)20/h3-4,7-10,22H,1-2,5-6H2
InChIKeyMYWRVCWCDIRBFX-UHFFFAOYSA-N
XLogP4.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.75
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide
CID 46505043
5-bromo-1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-6-sulfonamide
CID 46505036
5-bromo-1-(cyclopropanecarbonyl)-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-6-sulfonamide
CID 46504996
5-bromo-1-(cyclopropanecarbonyl)-N-(3-nitrophenyl)-2,3-dihydroindole-6-sulfonamide
CID 46504966
(3S)-N-(2-chloro-4-fluorophenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]butanamide
CID 92708715
5-bromo-1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)ethyl]-2,3-dihydroindole-6-sulfonamide
CID 46374628
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]sulfonyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 46248503
[5-bromo-6-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 46504972
N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853215
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621715
2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 43990163
methyl 4-chloro-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]benzoate
CID 100506055

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 5-bromo-N-(2-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide (CID 46505031) is 5-bromo-N-(2-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide is O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(F)cc3Cl)cc21.
What is the InChIKey of 5-bromo-N-(2-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide?
The InChIKey is MYWRVCWCDIRBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClFN2O3S/c19-13-7-11-5-6-23(18(24)10-1-2-10)16(11)9-17(13)27(25,26)22-15-4-3-12(21)8-14(15)20/h3-4,7-10,22H,1-2,5-6H2.
What are the key properties of 5-bromo-N-(2-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide?
5-bromo-N-(2-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 473.75 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 46505031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).