N,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide

C22H27N3O6S2 — CID 92646503

IUPACN,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O6S2/c1-23(2)33(29,30)20-7-8-21-19(15-20)9-10-25(21)22(26)18-5-3-17(4-6-18)16-32(27,28)24-11-13-31-14-12-24/h3-8,15H,9-14,16H2,1-2H3
InChIKeyFXEFBRUZUJMPQB-UHFFFAOYSA-N
MW493.61 g/mol
LogP1.30
Rot. Bonds6

About N,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide

N,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 92646503) has the molecular formula C22H27N3O6S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID92646503
Molecular FormulaC22H27N3O6S2
Molecular Weight493.61 g/mol
Exact Mass493.13
IUPAC NameN,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O6S2/c1-23(2)33(29,30)20-7-8-21-19(15-20)9-10-25(21)22(26)18-5-3-17(4-6-18)16-32(27,28)24-11-13-31-14-12-24/h3-8,15H,9-14,16H2,1-2H3
InChIKeyFXEFBRUZUJMPQB-UHFFFAOYSA-N
XLogP1.30
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-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,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide (CID 92646503) is N,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is FXEFBRUZUJMPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S2/c1-23(2)33(29,30)20-7-8-21-19(15-20)9-10-25(21)22(26)18-5-3-17(4-6-18)16-32(27,28)24-11-13-31-14-12-24/h3-8,15H,9-14,16H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide?
N,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 493.61 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 92646503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).