N-(2-butyl-1,3-dihydroisoindol-4-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide

C21H25N3O3S — CID 154747510

IUPACN-(2-butyl-1,3-dihydroisoindol-4-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCCCCN1Cc2cccc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)c2C1
InChIInChI=1S/C21H25N3O3S/c1-3-4-10-24-13-15-6-5-7-19(18(15)14-24)22-28(26,27)17-8-9-20-16(11-17)12-21(25)23(20)2/h5-9,11,22H,3-4,10,12-14H2,1-2H3
InChIKeyCSXWBNDEVVXHES-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.12
Rot. Bonds6

About N-(2-butyl-1,3-dihydroisoindol-4-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide

N-(2-butyl-1,3-dihydroisoindol-4-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide (PubChem CID 154747510) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-(2-butyl-1,3-dihydroisoindol-4-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-butyl-1,3-dihydroisoindol-4-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
PubChem CID154747510
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-(2-butyl-1,3-dihydroisoindol-4-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCCCCN1Cc2cccc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)c2C1
InChIInChI=1S/C21H25N3O3S/c1-3-4-10-24-13-15-6-5-7-19(18(15)14-24)22-28(26,27)17-8-9-20-16(11-17)12-21(25)23(20)2/h5-9,11,22H,3-4,10,12-14H2,1-2H3
InChIKeyCSXWBNDEVVXHES-UHFFFAOYSA-N
XLogP3.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113098520
1-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-3H-indole-5-sulfonamide
CID 110727217
N-[2-(4-ethoxyphenoxy)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 17460804
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
1-methyl-2-oxo-N-quinolin-8-yl-3H-indole-5-sulfonamide
CID 17498186
1-methyl-2-oxo-N-[6-(pentylamino)pyridazin-3-yl]-3H-indole-5-sulfonamide
CID 113044741
N-(3-chloro-2-morpholin-4-ylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 24602966
N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 24602602
N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 24602664
N-[6-(butylamino)-3-pyridinyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113009560
N-(2-chlorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383218
2,5-dimethyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)furan-3-sulfonamide
CID 75400891

Frequently Asked Questions

What is the IUPAC name of N-(2-butyl-1,3-dihydroisoindol-4-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of N-(2-butyl-1,3-dihydroisoindol-4-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide (CID 154747510) is N-(2-butyl-1,3-dihydroisoindol-4-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for N-(2-butyl-1,3-dihydroisoindol-4-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for N-(2-butyl-1,3-dihydroisoindol-4-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide is CCCCN1Cc2cccc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)c2C1.
What is the InChIKey of N-(2-butyl-1,3-dihydroisoindol-4-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is CSXWBNDEVVXHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-3-4-10-24-13-15-6-5-7-19(18(15)14-24)22-28(26,27)17-8-9-20-16(11-17)12-21(25)23(20)2/h5-9,11,22H,3-4,10,12-14H2,1-2H3.
What are the key properties of N-(2-butyl-1,3-dihydroisoindol-4-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide?
N-(2-butyl-1,3-dihydroisoindol-4-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 399.52 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-1,3-dihydroisoindol-4-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 154747510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).