2-chloro-N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyridine-4-carboxamide

C22H19ClF3N3O4S — CID 168786238

IUPAC2-chloro-N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Cl)ncc2C(F)(F)F)cc1S(=O)(=O)Nc1c(C)cccc1C
InChIInChI=1S/C22H19ClF3N3O4S/c1-12-5-4-6-13(2)20(12)29-34(31,32)18-9-14(7-8-17(18)33-3)28-21(30)15-10-19(23)27-11-16(15)22(24,25)26/h4-11,29H,1-3H3,(H,28,30)
InChIKeyRBCVZPBWVDHQRC-UHFFFAOYSA-N
MW513.93 g/mol
LogP5.43
Rot. Bonds6

About 2-chloro-N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyridine-4-carboxamide

2-chloro-N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 168786238) has the molecular formula C22H19ClF3N3O4S and a molecular weight of 513.93 g/mol. Its IUPAC name is 2-chloro-N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID168786238
Molecular FormulaC22H19ClF3N3O4S
Molecular Weight513.93 g/mol
Exact Mass513.07
IUPAC Name2-chloro-N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Cl)ncc2C(F)(F)F)cc1S(=O)(=O)Nc1c(C)cccc1C
InChIInChI=1S/C22H19ClF3N3O4S/c1-12-5-4-6-13(2)20(12)29-34(31,32)18-9-14(7-8-17(18)33-3)28-21(30)15-10-19(23)27-11-16(15)22(24,25)26/h4-11,29H,1-3H3,(H,28,30)
InChIKeyRBCVZPBWVDHQRC-UHFFFAOYSA-N
XLogP5.43
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.93
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 156859842
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
CID 34081551
N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide
CID 168786153
N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]quinoline-6-carboxamide
CID 156859982
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide
CID 71771105
4-acetamido-N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-methylbenzamide
CID 166752447
N-[3-[(4-tert-butylphenyl)sulfamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 156859652
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4312419
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-methylphenyl)-1H-imidazole-5-carboxamide
CID 156860021
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848572
N-[3-methoxy-4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 45110911
5-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-methoxybenzamide
CID 26851730

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyridine-4-carboxamide (CID 168786238) is 2-chloro-N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyridine-4-carboxamide is COc1ccc(NC(=O)c2cc(Cl)ncc2C(F)(F)F)cc1S(=O)(=O)Nc1c(C)cccc1C.
What is the InChIKey of 2-chloro-N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is RBCVZPBWVDHQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N3O4S/c1-12-5-4-6-13(2)20(12)29-34(31,32)18-9-14(7-8-17(18)33-3)28-21(30)15-10-19(23)27-11-16(15)22(24,25)26/h4-11,29H,1-3H3,(H,28,30).
What are the key properties of 2-chloro-N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyridine-4-carboxamide?
2-chloro-N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 513.93 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 168786238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).