4-fluoro-2-methyl-N-(8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide

C20H20FNO3S — CID 5181808

IUPAC4-fluoro-2-methyl-N-(8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)CC(C)CC3
InChIInChI=1S/C20H20FNO3S/c1-12-3-6-18-16(9-12)17-11-15(5-7-19(17)25-18)22-26(23,24)20-8-4-14(21)10-13(20)2/h4-5,7-8,10-12,22H,3,6,9H2,1-2H3
InChIKeyYPIHDKMTJNZALF-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.81
Rot. Bonds3

About 4-fluoro-2-methyl-N-(8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide

4-fluoro-2-methyl-N-(8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide (PubChem CID 5181808) has the molecular formula C20H20FNO3S and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
PubChem CID5181808
Molecular FormulaC20H20FNO3S
Molecular Weight373.45 g/mol
Exact Mass373.11
IUPAC Name4-fluoro-2-methyl-N-(8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)CC(C)CC3
InChIInChI=1S/C20H20FNO3S/c1-12-3-6-18-16(9-12)17-11-15(5-7-19(17)25-18)22-26(23,24)20-8-4-14(21)10-13(20)2/h4-5,7-8,10-12,22H,3,6,9H2,1-2H3
InChIKeyYPIHDKMTJNZALF-UHFFFAOYSA-N
XLogP4.81
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-methylbenzenesulfonamide
CID 789221
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 1094884
Ethyl 5-{[(4-isopropylphenyl)sulfonyl]amino}-2-phenyl-1-benzofuran-3-carboxylate
CID 2486239
Ethyl 5-{[(4-methoxyphenyl)sulfonyl]amino}-2-phenyl-1-benzofuran-3-carboxylate
CID 9541625
5-Amino-2-benzofuransulfonamide
CID 44377611
3-{[(5-Isopropyl-3-methyl-1-benzofuran-2-yl)sulfonyl]amino}benzoic acid
CID 56943086
2-Methoxyethyl 2-methyl-5-[(phenylsulfonyl)amino]-1-benzofuran-3-carboxylate
CID 651741
N-(4-ethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide
CID 992465
4-(3-Acetyl-2-methyl-benzofuran-5-ylsulfamoyl)-benzoic acid
CID 1094890
N-(3-acetyl-2-methylnaphtho[1,2-b]furan-5-yl)-4-methoxybenzenesulfonamide
CID 1183863
Ethyl 5-{[(2,4-dimethylphenyl)sulfonyl]amino}-2-phenyl-1-benzofuran-3-carboxylate
CID 2486415
N3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrafluoro-2-methylbenzo[b]furan-3-sulfonamide
CID 2739954

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-(8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide (CID 5181808) is 4-fluoro-2-methyl-N-(8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)CC(C)CC3.
What is the InChIKey of 4-fluoro-2-methyl-N-(8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The InChIKey is YPIHDKMTJNZALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3S/c1-12-3-6-18-16(9-12)17-11-15(5-7-19(17)25-18)22-26(23,24)20-8-4-14(21)10-13(20)2/h4-5,7-8,10-12,22H,3,6,9H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-(8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
4-fluoro-2-methyl-N-(8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide has a molecular weight of 373.45 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide is sourced from PubChem (CID 5181808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).