2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide

C19H16ClF2N3O3S2 — CID 163830202

IUPAC2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
SMILESCC(F)(F)c1ncc(-c2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)s1
InChIInChI=1S/C19H16ClF2N3O3S2/c1-19(21,22)18-24-10-15(29-18)13-7-6-12(9-16(13)30(23,27)28)25-17(26)8-11-4-2-3-5-14(11)20/h2-7,9-10H,8H2,1H3,(H,25,26)(H2,23,27,28)
InChIKeyODANQBDZGOYDBQ-UHFFFAOYSA-N
MW471.94 g/mol
LogP4.40
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide

2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide (PubChem CID 163830202) has the molecular formula C19H16ClF2N3O3S2 and a molecular weight of 471.94 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
PubChem CID163830202
Molecular FormulaC19H16ClF2N3O3S2
Molecular Weight471.94 g/mol
Exact Mass471.03
IUPAC Name2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
SMILESCC(F)(F)c1ncc(-c2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)s1
InChIInChI=1S/C19H16ClF2N3O3S2/c1-19(21,22)18-24-10-15(29-18)13-7-6-12(9-16(13)30(23,27)28)25-17(26)8-11-4-2-3-5-14(11)20/h2-7,9-10H,8H2,1H3,(H,25,26)(H2,23,27,28)
InChIKeyODANQBDZGOYDBQ-UHFFFAOYSA-N
XLogP4.40
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.94
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-[4-(4-cyano-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
CID 161293310
2-(2-chlorophenyl)-N-[4-(hydroxymethyl)-3-sulfamoylphenyl]acetamide
CID 167200814
N-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
CID 163625310
2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide
CID 164596523
2-(2-chlorophenyl)-N-[3-methylsulfonyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 166493198
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide
CID 134604003
2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572300
2-(2-chlorophenyl)-N-[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-(5-morpholin-4-yl-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide
CID 159937811
2-(2-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]-3-sulfamoylphenyl]acetamide
CID 145203258
2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]acetamide
CID 176551637
2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide
CID 159420717
N-[4-[1-amino-3-[2-(trifluoromethoxy)ethylimino]prop-1-en-2-yl]-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
CID 167629529

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide (CID 163830202) is 2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide is CC(F)(F)c1ncc(-c2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)s1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide?
The InChIKey is ODANQBDZGOYDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O3S2/c1-19(21,22)18-24-10-15(29-18)13-7-6-12(9-16(13)30(23,27)28)25-17(26)8-11-4-2-3-5-14(11)20/h2-7,9-10H,8H2,1H3,(H,25,26)(H2,23,27,28).
What are the key properties of 2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide?
2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide has a molecular weight of 471.94 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide is sourced from PubChem (CID 163830202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).