N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide

C19H19BrN2O3S — CID 20853260

IUPACN-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(C1CCC1)N1CCc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc21
InChIInChI=1S/C19H19BrN2O3S/c20-15-4-6-16(7-5-15)21-26(24,25)17-8-9-18-14(12-17)10-11-22(18)19(23)13-2-1-3-13/h4-9,12-13,21H,1-3,10-11H2
InChIKeyYLPKPMWJJBLFAC-UHFFFAOYSA-N
MW435.34 g/mol
LogP3.94
Rot. Bonds4

About N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide

N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 20853260) has the molecular formula C19H19BrN2O3S and a molecular weight of 435.34 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID20853260
Molecular FormulaC19H19BrN2O3S
Molecular Weight435.34 g/mol
Exact Mass434.03
IUPAC NameN-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(C1CCC1)N1CCc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc21
InChIInChI=1S/C19H19BrN2O3S/c20-15-4-6-16(7-5-15)21-26(24,25)17-8-9-18-14(12-17)10-11-22(18)19(23)13-2-1-3-13/h4-9,12-13,21H,1-3,10-11H2
InChIKeyYLPKPMWJJBLFAC-UHFFFAOYSA-N
XLogP3.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20853270
1-(cyclopropanecarbonyl)-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
CID 15990690
N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853215
1-(cyclobutanecarbonyl)-N-(2-methylcyclohexyl)-2,3-dihydroindole-5-sulfonamide
CID 20853272
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621715
1-(cyclobutanecarbonyl)-N-(2-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621685
1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361748
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42388536
1-(cyclopropanecarbonyl)-N-dibenzofuran-3-yl-2,3-dihydroindole-5-sulfonamide
CID 100554084
1-acetyl-N-[4-(cyclopropanecarbonyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 110425311
1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 122174957
1-(cyclobutanecarbonyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 15996298

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide (CID 20853260) is N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide is O=C(C1CCC1)N1CCc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc21.
What is the InChIKey of N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is YLPKPMWJJBLFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3S/c20-15-4-6-16(7-5-15)21-26(24,25)17-8-9-18-14(12-17)10-11-22(18)19(23)13-2-1-3-13/h4-9,12-13,21H,1-3,10-11H2.
What are the key properties of N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 435.34 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 20853260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).