5-chloro-2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide

C12H11ClN4O2S — CID 14455750

IUPAC5-chloro-2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1c(C#N)nc(-c2ccccc2)c1Cl
InChIInChI=1S/C12H11ClN4O2S/c1-16(2)20(18,19)17-10(8-14)15-11(12(17)13)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyRRHDSUUGYRCHSB-UHFFFAOYSA-N
MW310.77 g/mol
LogP1.73
Rot. Bonds3

About 5-chloro-2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide

5-chloro-2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide (PubChem CID 14455750) has the molecular formula C12H11ClN4O2S and a molecular weight of 310.77 g/mol. Its IUPAC name is 5-chloro-2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide
PubChem CID14455750
Molecular FormulaC12H11ClN4O2S
Molecular Weight310.77 g/mol
Exact Mass310.03
IUPAC Name5-chloro-2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1c(C#N)nc(-c2ccccc2)c1Cl
InChIInChI=1S/C12H11ClN4O2S/c1-16(2)20(18,19)17-10(8-14)15-11(12(17)13)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyRRHDSUUGYRCHSB-UHFFFAOYSA-N
XLogP1.73
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cyazofamid
CID 9862076
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CID 10910992
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CID 10544951
6-Chloro-1-methyl-2,2-dioxo-7-phenylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine
CID 44355602
6-(4-Chlorophenyl)-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
CID 135408997
5-Chloro-4-(4-chlorophenyl)-1-difluoromethyl-2-methyl-1H-imidazole
CID 21266811
4-chloro-2-cyano-5-[(4-ethylphenyl)-fluoromethyl]-N,N-dimethylimidazole-1-sulfonamide
CID 22737009
5-(2-Chloroethyl)-4-(4-fluorophenyl)-2-methylimidazole-1-sulfonic acid
CID 172823991
4-(2-Chloroethyl)-5-(4-fluorophenyl)-2-methylimidazole-1-sulfonic acid
CID 174374801
1-(Dimethylamino)-4-methyl-5-phenylimidazole-2-carbonitrile
CID 13720448
4-Chloro-2,5-diphenylimidazole-1-carbonitrile
CID 14641991
4-chloro-2-cyano-5-(4-(hydroxymethyl)phenyl)N,N-dimethyl-1h-imidazole-1-sulfonamide
CID 129837212

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide?
The IUPAC name of 5-chloro-2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide (CID 14455750) is 5-chloro-2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide.
What is the SMILES notation for 5-chloro-2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide?
The canonical SMILES for 5-chloro-2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide is CN(C)S(=O)(=O)n1c(C#N)nc(-c2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide?
The InChIKey is RRHDSUUGYRCHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2S/c1-16(2)20(18,19)17-10(8-14)15-11(12(17)13)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of 5-chloro-2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide?
5-chloro-2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide has a molecular weight of 310.77 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide is sourced from PubChem (CID 14455750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).