4-[1-(4,5-dihydropyrazolo[4,5-c]quinolin-1-ylsulfonyl)-3-methylcyclohexa-2,4-dien-1-yl]benzenesulfonamide

C23H22N4O4S2 — CID 141196390

IUPAC4-[1-(4,5-dihydropyrazolo[4,5-c]quinolin-1-ylsulfonyl)-3-methylcyclohexa-2,4-dien-1-yl]benzenesulfonamide
SMILESCC1=CC(c2ccc(S(N)(=O)=O)cc2)(S(=O)(=O)n2ncc3c2-c2ccccc2NC3)CC=C1
InChIInChI=1S/C23H22N4O4S2/c1-16-5-4-12-23(13-16,18-8-10-19(11-9-18)32(24,28)29)33(30,31)27-22-17(15-26-27)14-25-21-7-3-2-6-20(21)22/h2-11,13,15,25H,12,14H2,1H3,(H2,24,28,29)
InChIKeyDYHKIZCOQVFYHG-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.10
Rot. Bonds4

About 4-[1-(4,5-dihydropyrazolo[4,5-c]quinolin-1-ylsulfonyl)-3-methylcyclohexa-2,4-dien-1-yl]benzenesulfonamide

4-[1-(4,5-dihydropyrazolo[4,5-c]quinolin-1-ylsulfonyl)-3-methylcyclohexa-2,4-dien-1-yl]benzenesulfonamide (PubChem CID 141196390) has the molecular formula C23H22N4O4S2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 4-[1-(4,5-dihydropyrazolo[4,5-c]quinolin-1-ylsulfonyl)-3-methylcyclohexa-2,4-dien-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4,5-dihydropyrazolo[4,5-c]quinolin-1-ylsulfonyl)-3-methylcyclohexa-2,4-dien-1-yl]benzenesulfonamide
PubChem CID141196390
Molecular FormulaC23H22N4O4S2
Molecular Weight482.59 g/mol
Exact Mass482.11
IUPAC Name4-[1-(4,5-dihydropyrazolo[4,5-c]quinolin-1-ylsulfonyl)-3-methylcyclohexa-2,4-dien-1-yl]benzenesulfonamide
SMILESCC1=CC(c2ccc(S(N)(=O)=O)cc2)(S(=O)(=O)n2ncc3c2-c2ccccc2NC3)CC=C1
InChIInChI=1S/C23H22N4O4S2/c1-16-5-4-12-23(13-16,18-8-10-19(11-9-18)32(24,28)29)33(30,31)27-22-17(15-26-27)14-25-21-7-3-2-6-20(21)22/h2-11,13,15,25H,12,14H2,1H3,(H2,24,28,29)
InChIKeyDYHKIZCOQVFYHG-UHFFFAOYSA-N
XLogP3.10
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[1-(4,5-dihydropyrazolo[4,5-c]quinolin-1-ylsulfonyl)-3-methylcyclohexa-2,4-dien-1-yl]benzenesulfonamide 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 4-[1-(4,5-dihydropyrazolo[4,5-c]quinolin-1-ylsulfonyl)-3-methylcyclohexa-2,4-dien-1-yl]benzenesulfonamide?
The IUPAC name of 4-[1-(4,5-dihydropyrazolo[4,5-c]quinolin-1-ylsulfonyl)-3-methylcyclohexa-2,4-dien-1-yl]benzenesulfonamide (CID 141196390) is 4-[1-(4,5-dihydropyrazolo[4,5-c]quinolin-1-ylsulfonyl)-3-methylcyclohexa-2,4-dien-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(4,5-dihydropyrazolo[4,5-c]quinolin-1-ylsulfonyl)-3-methylcyclohexa-2,4-dien-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-(4,5-dihydropyrazolo[4,5-c]quinolin-1-ylsulfonyl)-3-methylcyclohexa-2,4-dien-1-yl]benzenesulfonamide is CC1=CC(c2ccc(S(N)(=O)=O)cc2)(S(=O)(=O)n2ncc3c2-c2ccccc2NC3)CC=C1.
What is the InChIKey of 4-[1-(4,5-dihydropyrazolo[4,5-c]quinolin-1-ylsulfonyl)-3-methylcyclohexa-2,4-dien-1-yl]benzenesulfonamide?
The InChIKey is DYHKIZCOQVFYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S2/c1-16-5-4-12-23(13-16,18-8-10-19(11-9-18)32(24,28)29)33(30,31)27-22-17(15-26-27)14-25-21-7-3-2-6-20(21)22/h2-11,13,15,25H,12,14H2,1H3,(H2,24,28,29).
What are the key properties of 4-[1-(4,5-dihydropyrazolo[4,5-c]quinolin-1-ylsulfonyl)-3-methylcyclohexa-2,4-dien-1-yl]benzenesulfonamide?
4-[1-(4,5-dihydropyrazolo[4,5-c]quinolin-1-ylsulfonyl)-3-methylcyclohexa-2,4-dien-1-yl]benzenesulfonamide has a molecular weight of 482.59 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4,5-dihydropyrazolo[4,5-c]quinolin-1-ylsulfonyl)-3-methylcyclohexa-2,4-dien-1-yl]benzenesulfonamide is sourced from PubChem (CID 141196390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).