(2R)-N-[4-(benzenesulfonyl)-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C17H16F3NO4S — CID 69113195

IUPAC(2R)-N-[4-(benzenesulfonyl)-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCc1cc(S(=O)(=O)c2ccccc2)ccc1NC(=O)[C@@](C)(O)C(F)(F)F
InChIInChI=1S/C17H16F3NO4S/c1-11-10-13(26(24,25)12-6-4-3-5-7-12)8-9-14(11)21-15(22)16(2,23)17(18,19)20/h3-10,23H,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyIMODNOQSRUOLHF-MRXNPFEDSA-N
MW387.38 g/mol
LogP3.08
Rot. Bonds4

About (2R)-N-[4-(benzenesulfonyl)-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

(2R)-N-[4-(benzenesulfonyl)-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 69113195) has the molecular formula C17H16F3NO4S and a molecular weight of 387.38 g/mol. Its IUPAC name is (2R)-N-[4-(benzenesulfonyl)-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-[4-(benzenesulfonyl)-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID69113195
Molecular FormulaC17H16F3NO4S
Molecular Weight387.38 g/mol
Exact Mass387.08
IUPAC Name(2R)-N-[4-(benzenesulfonyl)-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCc1cc(S(=O)(=O)c2ccccc2)ccc1NC(=O)[C@@](C)(O)C(F)(F)F
InChIInChI=1S/C17H16F3NO4S/c1-11-10-13(26(24,25)12-6-4-3-5-7-12)8-9-14(11)21-15(22)16(2,23)17(18,19)20/h3-10,23H,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyIMODNOQSRUOLHF-MRXNPFEDSA-N
XLogP3.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-4-(4-methylphenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22621269
4-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonyl-N-phenylbenzamide
CID 22287138
3,3,3-trifluoro-2-hydroxy-2-methyl-N-[2-methyl-4-[(E)-2-phenylethenyl]phenyl]propanamide
CID 174444790
N-[2-chloro-4-[4-[(R)-methylsulfinyl]phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 91432113
N-[2-chloro-4-[2-(methanesulfonamido)phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287296
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287259
N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287185
(2R)-N-[2-chloro-4-[4-(diaminomethylideneamino)sulfonylphenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 142647927
N-[2-chloro-4-[4-(1,3-dihydroxypropan-2-ylamino)phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287435
N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287271
N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide
CID 18758712
(2R)-N-[2-chloro-4-(2-oxobenzimidazol-5-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 18343690

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(benzenesulfonyl)-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2R)-N-[4-(benzenesulfonyl)-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 69113195) is (2R)-N-[4-(benzenesulfonyl)-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2R)-N-[4-(benzenesulfonyl)-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2R)-N-[4-(benzenesulfonyl)-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is Cc1cc(S(=O)(=O)c2ccccc2)ccc1NC(=O)[C@@](C)(O)C(F)(F)F.
What is the InChIKey of (2R)-N-[4-(benzenesulfonyl)-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is IMODNOQSRUOLHF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16F3NO4S/c1-11-10-13(26(24,25)12-6-4-3-5-7-12)8-9-14(11)21-15(22)16(2,23)17(18,19)20/h3-10,23H,1-2H3,(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-N-[4-(benzenesulfonyl)-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
(2R)-N-[4-(benzenesulfonyl)-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 387.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(benzenesulfonyl)-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 69113195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).