N-(2-methyl-5-sulfamoylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide

C20H18N2O3S — CID 2961134

IUPACN-(2-methyl-5-sulfamoylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H18N2O3S/c1-12-5-9-15(26(21,24)25)11-18(12)22-20(23)17-10-8-14-7-6-13-3-2-4-16(17)19(13)14/h2-5,8-11H,6-7H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyIHZMVAXOWJFFHV-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.15
Rot. Bonds3

About N-(2-methyl-5-sulfamoylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide

N-(2-methyl-5-sulfamoylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 2961134) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(2-methyl-5-sulfamoylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-sulfamoylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID2961134
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-(2-methyl-5-sulfamoylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H18N2O3S/c1-12-5-9-15(26(21,24)25)11-18(12)22-20(23)17-10-8-14-7-6-13-3-2-4-16(17)19(13)14/h2-5,8-11H,6-7H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyIHZMVAXOWJFFHV-UHFFFAOYSA-N
XLogP3.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-sulfamoylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N-(2-methyl-5-sulfamoylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide (CID 2961134) is N-(2-methyl-5-sulfamoylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-(2-methyl-5-sulfamoylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-(2-methyl-5-sulfamoylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-(2-methyl-5-sulfamoylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is IHZMVAXOWJFFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-12-5-9-15(26(21,24)25)11-18(12)22-20(23)17-10-8-14-7-6-13-3-2-4-16(17)19(13)14/h2-5,8-11H,6-7H2,1H3,(H,22,23)(H2,21,24,25).
What are the key properties of N-(2-methyl-5-sulfamoylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
N-(2-methyl-5-sulfamoylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-sulfamoylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 2961134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).