N-[2,3-dichloro-4-(phenylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C16H13Cl2F3N2O4S — CID 18546999

IUPACN-[2,3-dichloro-4-(phenylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)c(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C16H13Cl2F3N2O4S/c1-15(25,16(19,20)21)14(24)22-10-7-8-11(13(18)12(10)17)28(26,27)23-9-5-3-2-4-6-9/h2-8,23,25H,1H3,(H,22,24)
InChIKeyAWCKIQUAFFSNJR-UHFFFAOYSA-N
MW457.26 g/mol
LogP4.05
Rot. Bonds5

About N-[2,3-dichloro-4-(phenylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

N-[2,3-dichloro-4-(phenylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 18546999) has the molecular formula C16H13Cl2F3N2O4S and a molecular weight of 457.26 g/mol. Its IUPAC name is N-[2,3-dichloro-4-(phenylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[2,3-dichloro-4-(phenylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID18546999
Molecular FormulaC16H13Cl2F3N2O4S
Molecular Weight457.26 g/mol
Exact Mass455.99
IUPAC NameN-[2,3-dichloro-4-(phenylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)c(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C16H13Cl2F3N2O4S/c1-15(25,16(19,20)21)14(24)22-10-7-8-11(13(18)12(10)17)28(26,27)23-9-5-3-2-4-6-9/h2-8,23,25H,1H3,(H,22,24)
InChIKeyAWCKIQUAFFSNJR-UHFFFAOYSA-N
XLogP4.05
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.26
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,3-dichloro-4-(2-hydroxyethylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 18546997
N-[2,3-dichloro-4-[methyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 18546984
N-[2,3-dichloro-4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 18547014
N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287185
N-(2,3-dichloro-4-sulfanylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 23439412
N-(2-chloro-4-ethylsulfonyl-3-fluorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 23439452
N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287271
N-[2,3-dichloro-4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 18546996
4-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonyl-N-phenylbenzamide
CID 22287138
N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide
CID 18758712
(2R)-3,3,3-trifluoro-N-[2-fluoro-4-[(4-hydroxyphenyl)sulfamoyl]phenyl]-2-hydroxy-2-methylpropanamide
CID 20610356
N-[4-(benzylamino)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287342

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dichloro-4-(phenylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[2,3-dichloro-4-(phenylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 18546999) is N-[2,3-dichloro-4-(phenylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[2,3-dichloro-4-(phenylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[2,3-dichloro-4-(phenylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CC(O)(C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)c(Cl)c1Cl)C(F)(F)F.
What is the InChIKey of N-[2,3-dichloro-4-(phenylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is AWCKIQUAFFSNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F3N2O4S/c1-15(25,16(19,20)21)14(24)22-10-7-8-11(13(18)12(10)17)28(26,27)23-9-5-3-2-4-6-9/h2-8,23,25H,1H3,(H,22,24).
What are the key properties of N-[2,3-dichloro-4-(phenylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
N-[2,3-dichloro-4-(phenylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 457.26 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dichloro-4-(phenylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 18546999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).