4-chloro-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide

C23H20ClNO3S — CID 6618080

IUPAC4-chloro-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
SMILESCC1CCc2c(oc3c2cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc23)C1
InChIInChI=1S/C23H20ClNO3S/c1-14-6-11-18-20-13-21(25-29(26,27)16-9-7-15(24)8-10-16)17-4-2-3-5-19(17)23(20)28-22(18)12-14/h2-5,7-10,13-14,25H,6,11-12H2,1H3
InChIKeyBSZQPAYTTZRKDN-UHFFFAOYSA-N
MW425.94 g/mol
LogP6.16
Rot. Bonds3

About 4-chloro-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide

4-chloro-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide (PubChem CID 6618080) has the molecular formula C23H20ClNO3S and a molecular weight of 425.94 g/mol. Its IUPAC name is 4-chloro-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
PubChem CID6618080
Molecular FormulaC23H20ClNO3S
Molecular Weight425.94 g/mol
Exact Mass425.09
IUPAC Name4-chloro-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
SMILESCC1CCc2c(oc3c2cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc23)C1
InChIInChI=1S/C23H20ClNO3S/c1-14-6-11-18-20-13-21(25-29(26,27)16-9-7-15(24)8-10-16)17-4-2-3-5-19(17)23(20)28-22(18)12-14/h2-5,7-10,13-14,25H,6,11-12H2,1H3
InChIKeyBSZQPAYTTZRKDN-UHFFFAOYSA-N
XLogP6.16
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.94
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide (CID 6618080) is 4-chloro-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide is CC1CCc2c(oc3c2cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc23)C1.
What is the InChIKey of 4-chloro-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
The InChIKey is BSZQPAYTTZRKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO3S/c1-14-6-11-18-20-13-21(25-29(26,27)16-9-7-15(24)8-10-16)17-4-2-3-5-19(17)23(20)28-22(18)12-14/h2-5,7-10,13-14,25H,6,11-12H2,1H3.
What are the key properties of 4-chloro-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
4-chloro-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide has a molecular weight of 425.94 g/mol, XLogP of 6.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide is sourced from PubChem (CID 6618080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).