2-chloro-N-(2-methyl-1,3-dihydroisoindol-4-yl)-5-propan-2-ylbenzenesulfonamide

C18H21ClN2O2S — CID 100614355

IUPAC2-chloro-N-(2-methyl-1,3-dihydroisoindol-4-yl)-5-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(Cl)c(S(=O)(=O)Nc2cccc3c2CN(C)C3)c1
InChIInChI=1S/C18H21ClN2O2S/c1-12(2)13-7-8-16(19)18(9-13)24(22,23)20-17-6-4-5-14-10-21(3)11-15(14)17/h4-9,12,20H,10-11H2,1-3H3
InChIKeyXBWPFZXMFPDMDP-UHFFFAOYSA-N
MW364.90 g/mol
LogP4.21
Rot. Bonds4

About 2-chloro-N-(2-methyl-1,3-dihydroisoindol-4-yl)-5-propan-2-ylbenzenesulfonamide

2-chloro-N-(2-methyl-1,3-dihydroisoindol-4-yl)-5-propan-2-ylbenzenesulfonamide (PubChem CID 100614355) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-1,3-dihydroisoindol-4-yl)-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-1,3-dihydroisoindol-4-yl)-5-propan-2-ylbenzenesulfonamide
PubChem CID100614355
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name2-chloro-N-(2-methyl-1,3-dihydroisoindol-4-yl)-5-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(Cl)c(S(=O)(=O)Nc2cccc3c2CN(C)C3)c1
InChIInChI=1S/C18H21ClN2O2S/c1-12(2)13-7-8-16(19)18(9-13)24(22,23)20-17-6-4-5-14-10-21(3)11-15(14)17/h4-9,12,20H,10-11H2,1-3H3
InChIKeyXBWPFZXMFPDMDP-UHFFFAOYSA-N
XLogP4.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-1,3-dihydroisoindol-4-yl)-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-methyl-1,3-dihydroisoindol-4-yl)-5-propan-2-ylbenzenesulfonamide (CID 100614355) is 2-chloro-N-(2-methyl-1,3-dihydroisoindol-4-yl)-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-1,3-dihydroisoindol-4-yl)-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-methyl-1,3-dihydroisoindol-4-yl)-5-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2cccc3c2CN(C)C3)c1.
What is the InChIKey of 2-chloro-N-(2-methyl-1,3-dihydroisoindol-4-yl)-5-propan-2-ylbenzenesulfonamide?
The InChIKey is XBWPFZXMFPDMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-12(2)13-7-8-16(19)18(9-13)24(22,23)20-17-6-4-5-14-10-21(3)11-15(14)17/h4-9,12,20H,10-11H2,1-3H3.
What are the key properties of 2-chloro-N-(2-methyl-1,3-dihydroisoindol-4-yl)-5-propan-2-ylbenzenesulfonamide?
2-chloro-N-(2-methyl-1,3-dihydroisoindol-4-yl)-5-propan-2-ylbenzenesulfonamide has a molecular weight of 364.90 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-1,3-dihydroisoindol-4-yl)-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 100614355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).