N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide

C17H14ClF3N2O5S — CID 18758712

IUPACN-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide
SMILESCC(O)(C(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1Cl)C(F)(F)F
InChIInChI=1S/C17H14ClF3N2O5S/c1-16(26,17(19,20)21)15(25)22-13-8-7-11(9-12(13)18)29(27,28)23-14(24)10-5-3-2-4-6-10/h2-9,26H,1H3,(H,22,25)(H,23,24)
InChIKeyHGYGLKDBTHNZNC-UHFFFAOYSA-N
MW450.82 g/mol
LogP2.71
Rot. Bonds5

About N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide

N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide (PubChem CID 18758712) has the molecular formula C17H14ClF3N2O5S and a molecular weight of 450.82 g/mol. Its IUPAC name is N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide
PubChem CID18758712
Molecular FormulaC17H14ClF3N2O5S
Molecular Weight450.82 g/mol
Exact Mass450.03
IUPAC NameN-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide
SMILESCC(O)(C(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1Cl)C(F)(F)F
InChIInChI=1S/C17H14ClF3N2O5S/c1-16(26,17(19,20)21)15(25)22-13-8-7-11(9-12(13)18)29(27,28)23-14(24)10-5-3-2-4-6-10/h2-9,26H,1H3,(H,22,25)(H,23,24)
InChIKeyHGYGLKDBTHNZNC-UHFFFAOYSA-N
XLogP2.71
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.82
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonyl-3-iodobenzamide
CID 18758693
4-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonyl-N-phenylbenzamide
CID 22287138
N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287185
N-[2-chloro-4-[2-(methanesulfonamido)phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287296
N-[2-chloro-4-(4-methylphenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22621269
(2R)-N-[2-chloro-4-[ethyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 20610347
(2R)-N-[2-chloro-4-(cyclododecylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 10601861
N-(2-chloro-4-propylsulfonylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287187
(2R)-N-[2-chloro-4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 10719115
N-[2-chloro-4-[(3,5-dichloro-2-pyridinyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 18758710
N-[2-chloro-4-[2-(2-hydroxyethylsulfonyl)phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287160
(2R)-N-[2-chloro-4-[4-(diaminomethylideneamino)sulfonylphenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 142647927

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide?
The IUPAC name of N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide (CID 18758712) is N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide.
What is the SMILES notation for N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide?
The canonical SMILES for N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide is CC(O)(C(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1Cl)C(F)(F)F.
What is the InChIKey of N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide?
The InChIKey is HGYGLKDBTHNZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O5S/c1-16(26,17(19,20)21)15(25)22-13-8-7-11(9-12(13)18)29(27,28)23-14(24)10-5-3-2-4-6-10/h2-9,26H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide?
N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide has a molecular weight of 450.82 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide is sourced from PubChem (CID 18758712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).