N-[2-chloro-4-[3-(methanesulfonamido)phenyl]sulfanylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C17H16ClF3N2O4S2 — CID 22287147

IUPACN-[2-chloro-4-[3-(methanesulfonamido)phenyl]sulfanylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(Sc2cccc(NS(C)(=O)=O)c2)cc1Cl)C(F)(F)F
InChIInChI=1S/C17H16ClF3N2O4S2/c1-16(25,17(19,20)21)15(24)22-14-7-6-12(9-13(14)18)28-11-5-3-4-10(8-11)23-29(2,26)27/h3-9,23,25H,1-2H3,(H,22,24)
InChIKeyJCVKRNVHQLWNIT-UHFFFAOYSA-N
MW468.91 g/mol
LogP4.11
Rot. Bonds6

About N-[2-chloro-4-[3-(methanesulfonamido)phenyl]sulfanylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

N-[2-chloro-4-[3-(methanesulfonamido)phenyl]sulfanylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 22287147) has the molecular formula C17H16ClF3N2O4S2 and a molecular weight of 468.91 g/mol. Its IUPAC name is N-[2-chloro-4-[3-(methanesulfonamido)phenyl]sulfanylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-4-[3-(methanesulfonamido)phenyl]sulfanylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID22287147
Molecular FormulaC17H16ClF3N2O4S2
Molecular Weight468.91 g/mol
Exact Mass468.02
IUPAC NameN-[2-chloro-4-[3-(methanesulfonamido)phenyl]sulfanylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(Sc2cccc(NS(C)(=O)=O)c2)cc1Cl)C(F)(F)F
InChIInChI=1S/C17H16ClF3N2O4S2/c1-16(25,17(19,20)21)15(24)22-14-7-6-12(9-13(14)18)28-11-5-3-4-10(8-11)23-29(2,26)27/h3-9,23,25H,1-2H3,(H,22,24)
InChIKeyJCVKRNVHQLWNIT-UHFFFAOYSA-N
XLogP4.11
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.91
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-4-[2-(methanesulfonamido)phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287296
[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl] thiocyanate
CID 22287402
N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287185
3-chloro-N-[3-(difluoromethyl)phenyl]-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide
CID 90468729
N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287271
4-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonyl-N-phenylbenzamide
CID 22287138
N-[2,3-dichloro-4-(phenylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 18546999
N-[2-chloro-4-(4-methylphenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22621269
N-(2-chloro-4-propylsulfonylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287187
N-[4-(benzylamino)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287342
N-(4-benzyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287318
N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide
CID 18758712

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[3-(methanesulfonamido)phenyl]sulfanylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[2-chloro-4-[3-(methanesulfonamido)phenyl]sulfanylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 22287147) is N-[2-chloro-4-[3-(methanesulfonamido)phenyl]sulfanylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[2-chloro-4-[3-(methanesulfonamido)phenyl]sulfanylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[2-chloro-4-[3-(methanesulfonamido)phenyl]sulfanylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CC(O)(C(=O)Nc1ccc(Sc2cccc(NS(C)(=O)=O)c2)cc1Cl)C(F)(F)F.
What is the InChIKey of N-[2-chloro-4-[3-(methanesulfonamido)phenyl]sulfanylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is JCVKRNVHQLWNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O4S2/c1-16(25,17(19,20)21)15(24)22-14-7-6-12(9-13(14)18)28-11-5-3-4-10(8-11)23-29(2,26)27/h3-9,23,25H,1-2H3,(H,22,24).
What are the key properties of N-[2-chloro-4-[3-(methanesulfonamido)phenyl]sulfanylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
N-[2-chloro-4-[3-(methanesulfonamido)phenyl]sulfanylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 468.91 g/mol, XLogP of 4.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[3-(methanesulfonamido)phenyl]sulfanylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 22287147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).