N-[(4-methylphenyl)methyl]-3-oxo-1,2-dihydroisoindole-5-sulfonamide

C16H16N2O3S — CID 46361592

IUPACN-[(4-methylphenyl)methyl]-3-oxo-1,2-dihydroisoindole-5-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc3c(c2)C(=O)NC3)cc1
InChIInChI=1S/C16H16N2O3S/c1-11-2-4-12(5-3-11)9-18-22(20,21)14-7-6-13-10-17-16(19)15(13)8-14/h2-8,18H,9-10H2,1H3,(H,17,19)
InChIKeyCLGNKDMYPRSFBC-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.72
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-3-oxo-1,2-dihydroisoindole-5-sulfonamide

N-[(4-methylphenyl)methyl]-3-oxo-1,2-dihydroisoindole-5-sulfonamide (PubChem CID 46361592) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-oxo-1,2-dihydroisoindole-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-oxo-1,2-dihydroisoindole-5-sulfonamide
PubChem CID46361592
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[(4-methylphenyl)methyl]-3-oxo-1,2-dihydroisoindole-5-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc3c(c2)C(=O)NC3)cc1
InChIInChI=1S/C16H16N2O3S/c1-11-2-4-12(5-3-11)9-18-22(20,21)14-7-6-13-10-17-16(19)15(13)8-14/h2-8,18H,9-10H2,1H3,(H,17,19)
InChIKeyCLGNKDMYPRSFBC-UHFFFAOYSA-N
XLogP1.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 801583
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide
CID 59763032
N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 51702797
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421821
N-[(3-methylphenyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421919
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide
CID 105357704
3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53288902
2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3439524
2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide
CID 1102995
N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35764559

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-oxo-1,2-dihydroisoindole-5-sulfonamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-oxo-1,2-dihydroisoindole-5-sulfonamide (CID 46361592) is N-[(4-methylphenyl)methyl]-3-oxo-1,2-dihydroisoindole-5-sulfonamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-oxo-1,2-dihydroisoindole-5-sulfonamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-oxo-1,2-dihydroisoindole-5-sulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)C(=O)NC3)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-oxo-1,2-dihydroisoindole-5-sulfonamide?
The InChIKey is CLGNKDMYPRSFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11-2-4-12(5-3-11)9-18-22(20,21)14-7-6-13-10-17-16(19)15(13)8-14/h2-8,18H,9-10H2,1H3,(H,17,19).
What are the key properties of N-[(4-methylphenyl)methyl]-3-oxo-1,2-dihydroisoindole-5-sulfonamide?
N-[(4-methylphenyl)methyl]-3-oxo-1,2-dihydroisoindole-5-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-oxo-1,2-dihydroisoindole-5-sulfonamide is sourced from PubChem (CID 46361592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).