N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide

C19H23NO4S2 — CID 55556490

IUPACN-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H23NO4S2/c1-14(15-7-10-18(11-8-15)25(3,21)22)20(2)26(23,24)19-12-9-16-5-4-6-17(16)13-19/h7-14H,4-6H2,1-3H3
InChIKeyBWAJJMPSINIYBV-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.96
Rot. Bonds5

About N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 55556490) has the molecular formula C19H23NO4S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID55556490
Molecular FormulaC19H23NO4S2
Molecular Weight393.53 g/mol
Exact Mass393.11
IUPAC NameN-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H23NO4S2/c1-14(15-7-10-18(11-8-15)25(3,21)22)20(2)26(23,24)19-12-9-16-5-4-6-17(16)13-19/h7-14H,4-6H2,1-3H3
InChIKeyBWAJJMPSINIYBV-UHFFFAOYSA-N
XLogP2.96
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 55556490) is N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide is CC(c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is BWAJJMPSINIYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S2/c1-14(15-7-10-18(11-8-15)25(3,21)22)20(2)26(23,24)19-12-9-16-5-4-6-17(16)13-19/h7-14H,4-6H2,1-3H3.
What are the key properties of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 393.53 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 55556490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).