N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide

C21H17ClF2N4O3S — CID 59740803

IUPACN-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(Cc2cc(=O)[nH]c3c(F)c(F)ccc23)c2cccc(Cl)c2)cn1C
InChIInChI=1S/C21H17ClF2N4O3S/c1-12-25-19(11-27(12)2)32(30,31)28(15-5-3-4-14(22)9-15)10-13-8-18(29)26-21-16(13)6-7-17(23)20(21)24/h3-9,11H,10H2,1-2H3,(H,26,29)
InChIKeyZZYHTKBQLPQPFV-UHFFFAOYSA-N
MW478.91 g/mol
LogP3.90
Rot. Bonds5

About N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide

N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 59740803) has the molecular formula C21H17ClF2N4O3S and a molecular weight of 478.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide
PubChem CID59740803
Molecular FormulaC21H17ClF2N4O3S
Molecular Weight478.91 g/mol
Exact Mass478.07
IUPAC NameN-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(Cc2cc(=O)[nH]c3c(F)c(F)ccc23)c2cccc(Cl)c2)cn1C
InChIInChI=1S/C21H17ClF2N4O3S/c1-12-25-19(11-27(12)2)32(30,31)28(15-5-3-4-14(22)9-15)10-13-8-18(29)26-21-16(13)6-7-17(23)20(21)24/h3-9,11H,10H2,1-2H3,(H,26,29)
InChIKeyZZYHTKBQLPQPFV-UHFFFAOYSA-N
XLogP3.90
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.91
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide (CID 59740803) is N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)N(Cc2cc(=O)[nH]c3c(F)c(F)ccc23)c2cccc(Cl)c2)cn1C.
What is the InChIKey of N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is ZZYHTKBQLPQPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N4O3S/c1-12-25-19(11-27(12)2)32(30,31)28(15-5-3-4-14(22)9-15)10-13-8-18(29)26-21-16(13)6-7-17(23)20(21)24/h3-9,11H,10H2,1-2H3,(H,26,29).
What are the key properties of N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide?
N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 478.91 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 59740803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).