2-[4-[4-(dimethylsulfamoyl)-2-methylbenzoyl]-6-fluoronaphthalen-2-yl]acetic acid

C22H20FNO5S — CID 46202299

IUPAC2-[4-[4-(dimethylsulfamoyl)-2-methylbenzoyl]-6-fluoronaphthalen-2-yl]acetic acid
SMILESCc1cc(S(=O)(=O)N(C)C)ccc1C(=O)c1cc(CC(=O)O)cc2ccc(F)cc12
InChIInChI=1S/C22H20FNO5S/c1-13-8-17(30(28,29)24(2)3)6-7-18(13)22(27)20-10-14(11-21(25)26)9-15-4-5-16(23)12-19(15)20/h4-10,12H,11H2,1-3H3,(H,25,26)
InChIKeyKUUXTIKZOHAMKF-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.40
Rot. Bonds6

About 2-[4-[4-(dimethylsulfamoyl)-2-methylbenzoyl]-6-fluoronaphthalen-2-yl]acetic acid

2-[4-[4-(dimethylsulfamoyl)-2-methylbenzoyl]-6-fluoronaphthalen-2-yl]acetic acid (PubChem CID 46202299) has the molecular formula C22H20FNO5S and a molecular weight of 429.47 g/mol. Its IUPAC name is 2-[4-[4-(dimethylsulfamoyl)-2-methylbenzoyl]-6-fluoronaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(dimethylsulfamoyl)-2-methylbenzoyl]-6-fluoronaphthalen-2-yl]acetic acid
PubChem CID46202299
Molecular FormulaC22H20FNO5S
Molecular Weight429.47 g/mol
Exact Mass429.10
IUPAC Name2-[4-[4-(dimethylsulfamoyl)-2-methylbenzoyl]-6-fluoronaphthalen-2-yl]acetic acid
SMILESCc1cc(S(=O)(=O)N(C)C)ccc1C(=O)c1cc(CC(=O)O)cc2ccc(F)cc12
InChIInChI=1S/C22H20FNO5S/c1-13-8-17(30(28,29)24(2)3)6-7-18(13)22(27)20-10-14(11-21(25)26)9-15-4-5-16(23)12-19(15)20/h4-10,12H,11H2,1-3H3,(H,25,26)
InChIKeyKUUXTIKZOHAMKF-UHFFFAOYSA-N
XLogP3.40
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[4-(dimethylsulfamoyl)-2-methylbenzoyl]-6-fluoronaphthalen-2-yl]acetic acid 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 2-[4-[4-(dimethylsulfamoyl)-2-methylbenzoyl]-6-fluoronaphthalen-2-yl]acetic acid?
The IUPAC name of 2-[4-[4-(dimethylsulfamoyl)-2-methylbenzoyl]-6-fluoronaphthalen-2-yl]acetic acid (CID 46202299) is 2-[4-[4-(dimethylsulfamoyl)-2-methylbenzoyl]-6-fluoronaphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[4-(dimethylsulfamoyl)-2-methylbenzoyl]-6-fluoronaphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[4-[4-(dimethylsulfamoyl)-2-methylbenzoyl]-6-fluoronaphthalen-2-yl]acetic acid is Cc1cc(S(=O)(=O)N(C)C)ccc1C(=O)c1cc(CC(=O)O)cc2ccc(F)cc12.
What is the InChIKey of 2-[4-[4-(dimethylsulfamoyl)-2-methylbenzoyl]-6-fluoronaphthalen-2-yl]acetic acid?
The InChIKey is KUUXTIKZOHAMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO5S/c1-13-8-17(30(28,29)24(2)3)6-7-18(13)22(27)20-10-14(11-21(25)26)9-15-4-5-16(23)12-19(15)20/h4-10,12H,11H2,1-3H3,(H,25,26).
What are the key properties of 2-[4-[4-(dimethylsulfamoyl)-2-methylbenzoyl]-6-fluoronaphthalen-2-yl]acetic acid?
2-[4-[4-(dimethylsulfamoyl)-2-methylbenzoyl]-6-fluoronaphthalen-2-yl]acetic acid has a molecular weight of 429.47 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(dimethylsulfamoyl)-2-methylbenzoyl]-6-fluoronaphthalen-2-yl]acetic acid is sourced from PubChem (CID 46202299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).