4-[4-(3-chloro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide;4-[4-(3-chlorophenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide

C33H24Cl2F6N6O4S2 — CID 161098031

IUPAC4-[4-(3-chloro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide;4-[4-(3-chlorophenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide
SMILESCc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(S(N)(=O)=O)cc2)cc1Cl.NS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H13ClF3N3O2S.C16H11ClF3N3O2S/c1-9-2-3-11(8-13(9)18)15-14(23-16(24-15)17(19,20)21)10-4-6-12(7-5-10)27(22,25)26;17-11-3-1-2-10(8-11)14-13(22-15(23-14)16(18,19)20)9-4-6-12(7-5-9)26(21,24)25/h2-8H,1H3,(H,23,24)(H2,22,25,26);1-8H,(H,22,23)(H2,21,24,25)
InChIKeyUIAZWENTUFELGG-UHFFFAOYSA-N
MW817.62 g/mol
LogP8.44
Rot. Bonds6

About 4-[4-(3-chloro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide;4-[4-(3-chlorophenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide

4-[4-(3-chloro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide;4-[4-(3-chlorophenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide (PubChem CID 161098031) has the molecular formula C33H24Cl2F6N6O4S2 and a molecular weight of 817.62 g/mol. Its IUPAC name is 4-[4-(3-chloro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide;4-[4-(3-chlorophenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(3-chloro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide;4-[4-(3-chlorophenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide
PubChem CID161098031
Molecular FormulaC33H24Cl2F6N6O4S2
Molecular Weight817.62 g/mol
Exact Mass816.06
IUPAC Name4-[4-(3-chloro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide;4-[4-(3-chlorophenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide
SMILESCc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(S(N)(=O)=O)cc2)cc1Cl.NS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H13ClF3N3O2S.C16H11ClF3N3O2S/c1-9-2-3-11(8-13(9)18)15-14(23-16(24-15)17(19,20)21)10-4-6-12(7-5-10)27(22,25)26;17-11-3-1-2-10(8-11)14-13(22-15(23-14)16(18,19)20)9-4-6-12(7-5-9)26(21,24)25/h2-8H,1H3,(H,23,24)(H2,22,25,26);1-8H,(H,22,23)(H2,21,24,25)
InChIKeyUIAZWENTUFELGG-UHFFFAOYSA-N
XLogP8.44
TPSA177.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.62
LogP ≤ 58.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide
CID 18463648
4-(3,4-dichlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463562
5-(3-chloro-4-methylphenyl)-4-(3-fluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 139972082
4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463676
4-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463646
4-[4-(4-bromophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide;4-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 159159405
4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 18930755
4-[5-(3-chlorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-4-yl]benzenesulfonamide
CID 139808271
4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 22746599
4-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 126754935
3-[5-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide
CID 139808300
4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]phenol
CID 10470279

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide;4-[4-(3-chlorophenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(3-chloro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide;4-[4-(3-chlorophenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide (CID 161098031) is 4-[4-(3-chloro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide;4-[4-(3-chlorophenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(3-chloro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide;4-[4-(3-chlorophenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(3-chloro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide;4-[4-(3-chlorophenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide is Cc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(S(N)(=O)=O)cc2)cc1Cl.NS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[4-(3-chloro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide;4-[4-(3-chlorophenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide?
The InChIKey is UIAZWENTUFELGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O2S.C16H11ClF3N3O2S/c1-9-2-3-11(8-13(9)18)15-14(23-16(24-15)17(19,20)21)10-4-6-12(7-5-10)27(22,25)26;17-11-3-1-2-10(8-11)14-13(22-15(23-14)16(18,19)20)9-4-6-12(7-5-9)26(21,24)25/h2-8H,1H3,(H,23,24)(H2,22,25,26);1-8H,(H,22,23)(H2,21,24,25).
What are the key properties of 4-[4-(3-chloro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide;4-[4-(3-chlorophenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide?
4-[4-(3-chloro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide;4-[4-(3-chlorophenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide has a molecular weight of 817.62 g/mol, XLogP of 8.44, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide;4-[4-(3-chlorophenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 161098031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).