N-(4-chloro-3-methylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide

C21H20ClNO4S — CID 23767080

IUPACN-(4-chloro-3-methylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide
SMILESCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C21H20ClNO4S/c1-13-11-16(8-9-19(13)22)28(25,26)23(14(2)24)15-7-10-21-18(12-15)17-5-3-4-6-20(17)27-21/h7-12H,3-6H2,1-2H3
InChIKeyLBNGRSREMQXSNZ-UHFFFAOYSA-N
MW417.91 g/mol
LogP5.02
Rot. Bonds3

About N-(4-chloro-3-methylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide

N-(4-chloro-3-methylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide (PubChem CID 23767080) has the molecular formula C21H20ClNO4S and a molecular weight of 417.91 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide
PubChem CID23767080
Molecular FormulaC21H20ClNO4S
Molecular Weight417.91 g/mol
Exact Mass417.08
IUPAC NameN-(4-chloro-3-methylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide
SMILESCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C21H20ClNO4S/c1-13-11-16(8-9-19(13)22)28(25,26)23(14(2)24)15-7-10-21-18(12-15)17-5-3-4-6-20(17)27-21/h7-12H,3-6H2,1-2H3
InChIKeyLBNGRSREMQXSNZ-UHFFFAOYSA-N
XLogP5.02
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.91
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-3-methylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide 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-(4-chloro-3-methylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide (CID 23767080) is N-(4-chloro-3-methylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide is CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(Cl)c(C)c1.
What is the InChIKey of N-(4-chloro-3-methylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide?
The InChIKey is LBNGRSREMQXSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO4S/c1-13-11-16(8-9-19(13)22)28(25,26)23(14(2)24)15-7-10-21-18(12-15)17-5-3-4-6-20(17)27-21/h7-12H,3-6H2,1-2H3.
What are the key properties of N-(4-chloro-3-methylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide?
N-(4-chloro-3-methylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide has a molecular weight of 417.91 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide is sourced from PubChem (CID 23767080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).