N-(2,3-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide

C17H20N2O4S2 — CID 22583411

IUPACN-(2,3-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1C
InChIInChI=1S/C17H20N2O4S2/c1-12-5-4-6-16(13(12)2)18-25(22,23)15-7-8-17-14(11-15)9-10-19(17)24(3,20)21/h4-8,11,18H,9-10H2,1-3H3
InChIKeyICNCFNBFXQHTLT-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.43
Rot. Bonds4

About N-(2,3-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide

N-(2,3-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 22583411) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide
PubChem CID22583411
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC NameN-(2,3-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1C
InChIInChI=1S/C17H20N2O4S2/c1-12-5-4-6-16(13(12)2)18-25(22,23)15-7-8-17-14(11-15)9-10-19(17)24(3,20)21/h4-8,11,18H,9-10H2,1-3H3
InChIKeyICNCFNBFXQHTLT-UHFFFAOYSA-N
XLogP2.43
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide (CID 22583411) is N-(2,3-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide is Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is ICNCFNBFXQHTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-12-5-4-6-16(13(12)2)18-25(22,23)15-7-8-17-14(11-15)9-10-19(17)24(3,20)21/h4-8,11,18H,9-10H2,1-3H3.
What are the key properties of N-(2,3-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide?
N-(2,3-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 380.49 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 22583411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).