N-[2-chloro-4-[(3,5-dichloro-2-pyridinyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C15H11Cl3F3N3O4S — CID 18758710

IUPACN-[2-chloro-4-[(3,5-dichloro-2-pyridinyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C15H11Cl3F3N3O4S/c1-14(26,15(19,20)21)13(25)23-11-3-2-8(5-9(11)17)29(27,28)24-12-10(18)4-7(16)6-22-12/h2-6,26H,1H3,(H,22,24)(H,23,25)
InChIKeyBWKDQNVJWOZLDB-UHFFFAOYSA-N
MW492.69 g/mol
LogP4.09
Rot. Bonds5

About N-[2-chloro-4-[(3,5-dichloro-2-pyridinyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

N-[2-chloro-4-[(3,5-dichloro-2-pyridinyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 18758710) has the molecular formula C15H11Cl3F3N3O4S and a molecular weight of 492.69 g/mol. Its IUPAC name is N-[2-chloro-4-[(3,5-dichloro-2-pyridinyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(3,5-dichloro-2-pyridinyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID18758710
Molecular FormulaC15H11Cl3F3N3O4S
Molecular Weight492.69 g/mol
Exact Mass490.95
IUPAC NameN-[2-chloro-4-[(3,5-dichloro-2-pyridinyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C15H11Cl3F3N3O4S/c1-14(26,15(19,20)21)13(25)23-11-3-2-8(5-9(11)17)29(27,28)24-12-10(18)4-7(16)6-22-12/h2-6,26H,1H3,(H,22,24)(H,23,25)
InChIKeyBWKDQNVJWOZLDB-UHFFFAOYSA-N
XLogP4.09
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.69
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(3,5-dichloro-2-pyridinyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[2-chloro-4-[(3,5-dichloro-2-pyridinyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 18758710) is N-[2-chloro-4-[(3,5-dichloro-2-pyridinyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[2-chloro-4-[(3,5-dichloro-2-pyridinyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[2-chloro-4-[(3,5-dichloro-2-pyridinyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CC(O)(C(=O)Nc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2Cl)cc1Cl)C(F)(F)F.
What is the InChIKey of N-[2-chloro-4-[(3,5-dichloro-2-pyridinyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is BWKDQNVJWOZLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3F3N3O4S/c1-14(26,15(19,20)21)13(25)23-11-3-2-8(5-9(11)17)29(27,28)24-12-10(18)4-7(16)6-22-12/h2-6,26H,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-chloro-4-[(3,5-dichloro-2-pyridinyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
N-[2-chloro-4-[(3,5-dichloro-2-pyridinyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 492.69 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(3,5-dichloro-2-pyridinyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 18758710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).