2-chloro-4-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N,N-dimethylbenzenesulfonamide

C17H17ClN2O4S — CID 91749571

IUPAC2-chloro-4-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN1C(=O)c2ccccc2C1(O)c1ccc(S(=O)(=O)N(C)C)c(Cl)c1
InChIInChI=1S/C17H17ClN2O4S/c1-19(2)25(23,24)15-9-8-11(10-14(15)18)17(22)13-7-5-4-6-12(13)16(21)20(17)3/h4-10,22H,1-3H3
InChIKeyHLNOUGNOJXXPLF-UHFFFAOYSA-N
MW380.85 g/mol
LogP1.87
Rot. Bonds3

About 2-chloro-4-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N,N-dimethylbenzenesulfonamide

2-chloro-4-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 91749571) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 2-chloro-4-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID91749571
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name2-chloro-4-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN1C(=O)c2ccccc2C1(O)c1ccc(S(=O)(=O)N(C)C)c(Cl)c1
InChIInChI=1S/C17H17ClN2O4S/c1-19(2)25(23,24)15-9-8-11(10-14(15)18)17(22)13-7-5-4-6-12(13)16(21)20(17)3/h4-10,22H,1-3H3
InChIKeyHLNOUGNOJXXPLF-UHFFFAOYSA-N
XLogP1.87
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-chloro-4-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N,N-dimethylbenzenesulfonamide (CID 91749571) is 2-chloro-4-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-4-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-4-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N,N-dimethylbenzenesulfonamide is CN1C(=O)c2ccccc2C1(O)c1ccc(S(=O)(=O)N(C)C)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is HLNOUGNOJXXPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-19(2)25(23,24)15-9-8-11(10-14(15)18)17(22)13-7-5-4-6-12(13)16(21)20(17)3/h4-10,22H,1-3H3.
What are the key properties of 2-chloro-4-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N,N-dimethylbenzenesulfonamide?
2-chloro-4-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 380.85 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 91749571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).