5-(1,3-dihydroisoindole-2-carbonyl)-2,3-dimethylbenzenesulfonamide

C17H18N2O3S — CID 50954150

IUPAC5-(1,3-dihydroisoindole-2-carbonyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(C(=O)N2Cc3ccccc3C2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C17H18N2O3S/c1-11-7-15(8-16(12(11)2)23(18,21)22)17(20)19-9-13-5-3-4-6-14(13)10-19/h3-8H,9-10H2,1-2H3,(H2,18,21,22)
InChIKeyHKYHRSPPHWNWJC-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.11
Rot. Bonds2

About 5-(1,3-dihydroisoindole-2-carbonyl)-2,3-dimethylbenzenesulfonamide

5-(1,3-dihydroisoindole-2-carbonyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 50954150) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 5-(1,3-dihydroisoindole-2-carbonyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-(1,3-dihydroisoindole-2-carbonyl)-2,3-dimethylbenzenesulfonamide
PubChem CID50954150
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name5-(1,3-dihydroisoindole-2-carbonyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(C(=O)N2Cc3ccccc3C2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C17H18N2O3S/c1-11-7-15(8-16(12(11)2)23(18,21)22)17(20)19-9-13-5-3-4-6-14(13)10-19/h3-8H,9-10H2,1-2H3,(H2,18,21,22)
InChIKeyHKYHRSPPHWNWJC-UHFFFAOYSA-N
XLogP2.11
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dihydroisoindole-2-carbonyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-(1,3-dihydroisoindole-2-carbonyl)-2,3-dimethylbenzenesulfonamide (CID 50954150) is 5-(1,3-dihydroisoindole-2-carbonyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-(1,3-dihydroisoindole-2-carbonyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-(1,3-dihydroisoindole-2-carbonyl)-2,3-dimethylbenzenesulfonamide is Cc1cc(C(=O)N2Cc3ccccc3C2)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-(1,3-dihydroisoindole-2-carbonyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is HKYHRSPPHWNWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-7-15(8-16(12(11)2)23(18,21)22)17(20)19-9-13-5-3-4-6-14(13)10-19/h3-8H,9-10H2,1-2H3,(H2,18,21,22).
What are the key properties of 5-(1,3-dihydroisoindole-2-carbonyl)-2,3-dimethylbenzenesulfonamide?
5-(1,3-dihydroisoindole-2-carbonyl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dihydroisoindole-2-carbonyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 50954150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).