N-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide

C24H28BrN3O3S — CID 15993844

IUPACN-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide
SMILESO=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)c21
InChIInChI=1S/C24H28BrN3O3S/c25-20-14-19-8-13-28(24(29)18-6-7-18)23(19)22(15-20)32(30,31)26-21-9-11-27(12-10-21)16-17-4-2-1-3-5-17/h1-5,14-15,18,21,26H,6-13,16H2
InChIKeyKYGPZFCFDQUBQT-UHFFFAOYSA-N
MW518.48 g/mol
LogP3.69
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide

N-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide (PubChem CID 15993844) has the molecular formula C24H28BrN3O3S and a molecular weight of 518.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide
PubChem CID15993844
Molecular FormulaC24H28BrN3O3S
Molecular Weight518.48 g/mol
Exact Mass517.10
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide
SMILESO=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)c21
InChIInChI=1S/C24H28BrN3O3S/c25-20-14-19-8-13-28(24(29)18-6-7-18)23(19)22(15-20)32(30,31)26-21-9-11-27(12-10-21)16-17-4-2-1-3-5-17/h1-5,14-15,18,21,26H,6-13,16H2
InChIKeyKYGPZFCFDQUBQT-UHFFFAOYSA-N
XLogP3.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide
CID 40562452
5-bromo-1-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-7-sulfonamide
CID 3243098
5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide
CID 2052773
N-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide
CID 114269373
N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide
CID 5147376
N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
CID 51169998
N-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 114132627
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
N-(1-benzylpiperidin-4-yl)-2-nitrobenzenesulfonamide;hydrochloride
CID 18197763
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide (CID 15993844) is N-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide is O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)c21.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide?
The InChIKey is KYGPZFCFDQUBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN3O3S/c25-20-14-19-8-13-28(24(29)18-6-7-18)23(19)22(15-20)32(30,31)26-21-9-11-27(12-10-21)16-17-4-2-1-3-5-17/h1-5,14-15,18,21,26H,6-13,16H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide?
N-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide has a molecular weight of 518.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide is sourced from PubChem (CID 15993844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).