2-[2-chloro-4-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide

C24H19ClF3N3O3S — CID 67808781

IUPAC2-[2-chloro-4-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2Cl)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H19ClF3N3O3S/c1-15-13-31(14-29-15)21-10-8-17(12-22(21)34-2)30-35(32,33)23-6-4-3-5-19(23)18-9-7-16(11-20(18)25)24(26,27)28/h3-14,30H,1-2H3
InChIKeyQCQWEZCSVCSHDS-UHFFFAOYSA-N
MW521.95 g/mol
LogP6.33
Rot. Bonds6

About 2-[2-chloro-4-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide

2-[2-chloro-4-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 67808781) has the molecular formula C24H19ClF3N3O3S and a molecular weight of 521.95 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
PubChem CID67808781
Molecular FormulaC24H19ClF3N3O3S
Molecular Weight521.95 g/mol
Exact Mass521.08
IUPAC Name2-[2-chloro-4-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2Cl)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H19ClF3N3O3S/c1-15-13-31(14-29-15)21-10-8-17(12-22(21)34-2)30-35(32,33)23-6-4-3-5-19(23)18-9-7-16(11-20(18)25)24(26,27)28/h3-14,30H,1-2H3
InChIKeyQCQWEZCSVCSHDS-UHFFFAOYSA-N
XLogP6.33
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.95
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67702345
2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67700517
N-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide
CID 67809218
2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67700505
2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide
CID 72543944
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 25419527
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
CID 67702026
2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2538540
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methyl-5-[2-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 66857694
2-(2-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine
CID 141273910
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride
CID 59591064

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide (CID 67808781) is 2-[2-chloro-4-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2Cl)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is QCQWEZCSVCSHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N3O3S/c1-15-13-31(14-29-15)21-10-8-17(12-22(21)34-2)30-35(32,33)23-6-4-3-5-19(23)18-9-7-16(11-20(18)25)24(26,27)28/h3-14,30H,1-2H3.
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide?
2-[2-chloro-4-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 521.95 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 67808781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).