2-(dimethylsulfamoylamino)-4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine

C19H20F3N5O4S2 — CID 91185920

IUPAC2-(dimethylsulfamoylamino)-4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine
SMILESCc1c(O)n(-c2ccc(SC(F)(F)F)cc2)c(=O)n1Cc1ccnc(NS(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H20F3N5O4S2/c1-12-17(28)27(14-4-6-15(7-5-14)32-19(20,21)22)18(29)26(12)11-13-8-9-23-16(10-13)24-33(30,31)25(2)3/h4-10,28H,11H2,1-3H3,(H,23,24)
InChIKeyJVSGMSQIVJSVFI-UHFFFAOYSA-N
MW503.53 g/mol
LogP2.93
Rot. Bonds7

About 2-(dimethylsulfamoylamino)-4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine

2-(dimethylsulfamoylamino)-4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine (PubChem CID 91185920) has the molecular formula C19H20F3N5O4S2 and a molecular weight of 503.53 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine
PubChem CID91185920
Molecular FormulaC19H20F3N5O4S2
Molecular Weight503.53 g/mol
Exact Mass503.09
IUPAC Name2-(dimethylsulfamoylamino)-4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine
SMILESCc1c(O)n(-c2ccc(SC(F)(F)F)cc2)c(=O)n1Cc1ccnc(NS(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H20F3N5O4S2/c1-12-17(28)27(14-4-6-15(7-5-14)32-19(20,21)22)18(29)26(12)11-13-8-9-23-16(10-13)24-33(30,31)25(2)3/h4-10,28H,11H2,1-3H3,(H,23,24)
InChIKeyJVSGMSQIVJSVFI-UHFFFAOYSA-N
XLogP2.93
TPSA109.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.53
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-hydroxy-5-methyl-1-[[2-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91035699
4-chloro-N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide
CID 91426433
4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylic acid
CID 91019121
1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea
CID 90924951
N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]methanesulfonamide
CID 90901020
4-hydroxy-5-methyl-1-[(2-phenoxy-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 90836578
N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]methanesulfonamide
CID 91578507
4-hydroxy-5-methyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91309793
4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-(sulfamoylamino)pyridine
CID 91185410
N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide
CID 90879070
N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]morpholine-4-sulfonamide
CID 91607160
1-[(2-benzyl-4-pyridinyl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91597391

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine?
The IUPAC name of 2-(dimethylsulfamoylamino)-4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine (CID 91185920) is 2-(dimethylsulfamoylamino)-4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine?
The canonical SMILES for 2-(dimethylsulfamoylamino)-4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine is Cc1c(O)n(-c2ccc(SC(F)(F)F)cc2)c(=O)n1Cc1ccnc(NS(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-(dimethylsulfamoylamino)-4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine?
The InChIKey is JVSGMSQIVJSVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O4S2/c1-12-17(28)27(14-4-6-15(7-5-14)32-19(20,21)22)18(29)26(12)11-13-8-9-23-16(10-13)24-33(30,31)25(2)3/h4-10,28H,11H2,1-3H3,(H,23,24).
What are the key properties of 2-(dimethylsulfamoylamino)-4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine?
2-(dimethylsulfamoylamino)-4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine has a molecular weight of 503.53 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 91185920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).