N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C16H14ClF3N2O4S — CID 22287185

IUPACN-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)C(F)(F)F
InChIInChI=1S/C16H14ClF3N2O4S/c1-15(24,16(18,19)20)14(23)21-13-8-7-10(9-12(13)17)22-27(25,26)11-5-3-2-4-6-11/h2-9,22,24H,1H3,(H,21,23)
InChIKeyDBYDSTMRTTVESP-UHFFFAOYSA-N
MW422.81 g/mol
LogP3.39
Rot. Bonds5

About N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 22287185) has the molecular formula C16H14ClF3N2O4S and a molecular weight of 422.81 g/mol. Its IUPAC name is N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID22287185
Molecular FormulaC16H14ClF3N2O4S
Molecular Weight422.81 g/mol
Exact Mass422.03
IUPAC NameN-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)C(F)(F)F
InChIInChI=1S/C16H14ClF3N2O4S/c1-15(24,16(18,19)20)14(23)21-13-8-7-10(9-12(13)17)22-27(25,26)11-5-3-2-4-6-11/h2-9,22,24H,1H3,(H,21,23)
InChIKeyDBYDSTMRTTVESP-UHFFFAOYSA-N
XLogP3.39
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.81
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzylamino)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287342
N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide
CID 18758712
N-[2,3-dichloro-4-(phenylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 18546999
N-[2-chloro-4-[2-(methanesulfonamido)phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287296
4-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonyl-N-phenylbenzamide
CID 22287138
N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287271
(2R)-N-[4-(benzenesulfonyl)-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 69113195
N-(4-benzyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287318
N-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide
CID 134878844
N-[2-chloro-4-[3-(methanesulfonamido)phenyl]sulfanylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287147
N-[2-chloro-4-[(3,5-dichloro-2-pyridinyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 18758710
(2R)-N-[2-chloro-4-[ethyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 20610347

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 22287185) is N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CC(O)(C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)C(F)(F)F.
What is the InChIKey of N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is DBYDSTMRTTVESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O4S/c1-15(24,16(18,19)20)14(23)21-13-8-7-10(9-12(13)17)22-27(25,26)11-5-3-2-4-6-11/h2-9,22,24H,1H3,(H,21,23).
What are the key properties of N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 422.81 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 22287185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).