N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,4-difluorophenyl)-5-ethyl-1H-imidazole-4-carboxamide

C19H16ClF2N3O4S — CID 155116079

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,4-difluorophenyl)-5-ethyl-1H-imidazole-4-carboxamide
SMILESCCc1[nH]c(-c2ccc(F)cc2F)nc1C(=O)NS(=O)(=O)c1cc(OC)ccc1Cl
InChIInChI=1S/C19H16ClF2N3O4S/c1-3-15-17(24-18(23-15)12-6-4-10(21)8-14(12)22)19(26)25-30(27,28)16-9-11(29-2)5-7-13(16)20/h4-9H,3H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyDNTIZDSJOLNBAD-UHFFFAOYSA-N
MW455.87 g/mol
LogP3.70
Rot. Bonds6

About N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,4-difluorophenyl)-5-ethyl-1H-imidazole-4-carboxamide

N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,4-difluorophenyl)-5-ethyl-1H-imidazole-4-carboxamide (PubChem CID 155116079) has the molecular formula C19H16ClF2N3O4S and a molecular weight of 455.87 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,4-difluorophenyl)-5-ethyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,4-difluorophenyl)-5-ethyl-1H-imidazole-4-carboxamide
PubChem CID155116079
Molecular FormulaC19H16ClF2N3O4S
Molecular Weight455.87 g/mol
Exact Mass455.05
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,4-difluorophenyl)-5-ethyl-1H-imidazole-4-carboxamide
SMILESCCc1[nH]c(-c2ccc(F)cc2F)nc1C(=O)NS(=O)(=O)c1cc(OC)ccc1Cl
InChIInChI=1S/C19H16ClF2N3O4S/c1-3-15-17(24-18(23-15)12-6-4-10(21)8-14(12)22)19(26)25-30(27,28)16-9-11(29-2)5-7-13(16)20/h4-9H,3H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyDNTIZDSJOLNBAD-UHFFFAOYSA-N
XLogP3.70
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.87
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(diaminomethylidene)-5-methyl-1H-imidazole-4-carboxamide;methanesulfonic acid
CID 24905407
2-chloro-N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]-5-methoxybenzenesulfonamide
CID 72106420
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 130437700
3-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-2-iminopropan-1-one
CID 130437803
3-(2-Chloro-5-methoxyphenyl)sulfonyl-1-[2-(2-fluoro-6-methylphenyl)-1,5-dimethylimidazol-4-yl]-2-iminopropan-1-one
CID 130437873
2-(2-chloro-6-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide
CID 130437896
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 139451192
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-ethyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453268
N-(2-chloro-5-methoxyphenyl)sulfonyl-5-(difluoromethyl)-1-(2,6-difluorophenyl)imidazole-4-carboxamide
CID 139453284
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,5-difluorophenyl)-5-propan-2-ylimidazole-4-carboxamide
CID 139453289
N-(2-chloro-5-methoxyphenyl)sulfonyl-5-cyclopropyl-1-(2,5-difluorophenyl)imidazole-4-carboxamide
CID 139453327
2-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(2,6-difluorophenyl)-1H-imidazol-5-yl]prop-2-en-1-one
CID 146335016

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,4-difluorophenyl)-5-ethyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,4-difluorophenyl)-5-ethyl-1H-imidazole-4-carboxamide (CID 155116079) is N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,4-difluorophenyl)-5-ethyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,4-difluorophenyl)-5-ethyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,4-difluorophenyl)-5-ethyl-1H-imidazole-4-carboxamide is CCc1[nH]c(-c2ccc(F)cc2F)nc1C(=O)NS(=O)(=O)c1cc(OC)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,4-difluorophenyl)-5-ethyl-1H-imidazole-4-carboxamide?
The InChIKey is DNTIZDSJOLNBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O4S/c1-3-15-17(24-18(23-15)12-6-4-10(21)8-14(12)22)19(26)25-30(27,28)16-9-11(29-2)5-7-13(16)20/h4-9H,3H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,4-difluorophenyl)-5-ethyl-1H-imidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,4-difluorophenyl)-5-ethyl-1H-imidazole-4-carboxamide has a molecular weight of 455.87 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,4-difluorophenyl)-5-ethyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 155116079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).