N-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide

C17H12ClF2N3O3S — CID 139452892

IUPACN-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1Cl)c1cn(Cc2c(F)cccc2F)cn1
InChIInChI=1S/C17H12ClF2N3O3S/c18-12-4-1-2-7-16(12)27(25,26)22-17(24)15-9-23(10-21-15)8-11-13(19)5-3-6-14(11)20/h1-7,9-10H,8H2,(H,22,24)
InChIKeyYGCCLKVCDGCRRV-UHFFFAOYSA-N
MW411.82 g/mol
LogP2.98
Rot. Bonds5

About N-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide

N-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide (PubChem CID 139452892) has the molecular formula C17H12ClF2N3O3S and a molecular weight of 411.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
PubChem CID139452892
Molecular FormulaC17H12ClF2N3O3S
Molecular Weight411.82 g/mol
Exact Mass411.03
IUPAC NameN-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1Cl)c1cn(Cc2c(F)cccc2F)cn1
InChIInChI=1S/C17H12ClF2N3O3S/c18-12-4-1-2-7-16(12)27(25,26)22-17(24)15-9-23(10-21-15)8-11-13(19)5-3-6-14(11)20/h1-7,9-10H,8H2,(H,22,24)
InChIKeyYGCCLKVCDGCRRV-UHFFFAOYSA-N
XLogP2.98
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.82
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)sulfonyl-1-(2,6-dichlorophenyl)imidazole-4-carboxamide
CID 139453065
N-(2-chlorophenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453068
N-(2,5-dichlorophenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide
CID 139453060
1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide
CID 139453276
N-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139452977
1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)sulfonylimidazole-4-carboxamide
CID 139452945
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide
CID 139453144
1-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496870
1-(2,6-dichlorophenyl)-N-(2,6-dichlorophenyl)sulfonylimidazole-4-carboxamide
CID 139453158
N-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide
CID 146335135
1-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2,6-dichlorophenyl)sulfonylethanone
CID 159619820
(2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone
CID 142342439

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide (CID 139452892) is N-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide is O=C(NS(=O)(=O)c1ccccc1Cl)c1cn(Cc2c(F)cccc2F)cn1.
What is the InChIKey of N-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide?
The InChIKey is YGCCLKVCDGCRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O3S/c18-12-4-1-2-7-16(12)27(25,26)22-17(24)15-9-23(10-21-15)8-11-13(19)5-3-6-14(11)20/h1-7,9-10H,8H2,(H,22,24).
What are the key properties of N-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide?
N-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide has a molecular weight of 411.82 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 139452892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).