N-(3-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C17H18N2O3S — CID 1085737

IUPACN-(3-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1
InChIInChI=1S/C17H18N2O3S/c1-12-4-3-5-15(10-12)18-17(20)14-6-7-16-13(11-14)8-9-19(16)23(2,21)22/h3-7,10-11H,8-9H2,1-2H3,(H,18,20)
InChIKeyBZKSUNKUCCFPKV-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.57
Rot. Bonds3

About N-(3-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-(3-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 1085737) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID1085737
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(3-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1
InChIInChI=1S/C17H18N2O3S/c1-12-4-3-5-15(10-12)18-17(20)14-6-7-16-13(11-14)8-9-19(16)23(2,21)22/h3-7,10-11H,8-9H2,1-2H3,(H,18,20)
InChIKeyBZKSUNKUCCFPKV-UHFFFAOYSA-N
XLogP2.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(3-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 1085737) is N-(3-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is Cc1cccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is BZKSUNKUCCFPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12-4-3-5-15(10-12)18-17(20)14-6-7-16-13(11-14)8-9-19(16)23(2,21)22/h3-7,10-11H,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-(3-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(3-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 1085737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).