4-[3-(2-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]benzenesulfonamide

C23H20ClN3O2S — CID 118732331

IUPAC4-[3-(2-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C3c4ccccc4CCC3C2c2ccccc2Cl)cc1
InChIInChI=1S/C23H20ClN3O2S/c24-21-8-4-3-7-19(21)23-20-14-9-15-5-1-2-6-18(15)22(20)26-27(23)16-10-12-17(13-11-16)30(25,28)29/h1-8,10-13,20,23H,9,14H2,(H2,25,28,29)
InChIKeyOSUYLEWFDXTOCS-UHFFFAOYSA-N
MW437.95 g/mol
LogP4.52
Rot. Bonds3

About 4-[3-(2-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]benzenesulfonamide

4-[3-(2-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]benzenesulfonamide (PubChem CID 118732331) has the molecular formula C23H20ClN3O2S and a molecular weight of 437.95 g/mol. Its IUPAC name is 4-[3-(2-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(2-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]benzenesulfonamide
PubChem CID118732331
Molecular FormulaC23H20ClN3O2S
Molecular Weight437.95 g/mol
Exact Mass437.10
IUPAC Name4-[3-(2-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C3c4ccccc4CCC3C2c2ccccc2Cl)cc1
InChIInChI=1S/C23H20ClN3O2S/c24-21-8-4-3-7-19(21)23-20-14-9-15-5-1-2-6-18(15)22(20)26-27(23)16-10-12-17(13-11-16)30(25,28)29/h1-8,10-13,20,23H,9,14H2,(H2,25,28,29)
InChIKeyOSUYLEWFDXTOCS-UHFFFAOYSA-N
XLogP4.52
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(2-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]benzenesulfonamide (CID 118732331) is 4-[3-(2-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(2-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(2-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CCC3C2c2ccccc2Cl)cc1.
What is the InChIKey of 4-[3-(2-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]benzenesulfonamide?
The InChIKey is OSUYLEWFDXTOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2S/c24-21-8-4-3-7-19(21)23-20-14-9-15-5-1-2-6-18(15)22(20)26-27(23)16-10-12-17(13-11-16)30(25,28)29/h1-8,10-13,20,23H,9,14H2,(H2,25,28,29).
What are the key properties of 4-[3-(2-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]benzenesulfonamide?
4-[3-(2-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]benzenesulfonamide has a molecular weight of 437.95 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 118732331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).