N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxamide

C19H16ClF2N3O4S — CID 139453133

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxamide
SMILESCCc1nc(C(=O)NS(=O)(=O)c2cc(OC)ccc2Cl)cn1-c1cc(F)cc(F)c1
InChIInChI=1S/C19H16ClF2N3O4S/c1-3-18-23-16(10-25(18)13-7-11(21)6-12(22)8-13)19(26)24-30(27,28)17-9-14(29-2)4-5-15(17)20/h4-10H,3H2,1-2H3,(H,24,26)
InChIKeyRQRJLPWYIMFGTI-UHFFFAOYSA-N
MW455.87 g/mol
LogP3.49
Rot. Bonds6

About N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxamide

N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxamide (PubChem CID 139453133) has the molecular formula C19H16ClF2N3O4S and a molecular weight of 455.87 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxamide
PubChem CID139453133
Molecular FormulaC19H16ClF2N3O4S
Molecular Weight455.87 g/mol
Exact Mass455.05
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxamide
SMILESCCc1nc(C(=O)NS(=O)(=O)c2cc(OC)ccc2Cl)cn1-c1cc(F)cc(F)c1
InChIInChI=1S/C19H16ClF2N3O4S/c1-3-18-23-16(10-25(18)13-7-11(21)6-12(22)8-13)19(26)24-30(27,28)17-9-14(29-2)4-5-15(17)20/h4-10H,3H2,1-2H3,(H,24,26)
InChIKeyRQRJLPWYIMFGTI-UHFFFAOYSA-N
XLogP3.49
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.87
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxamide (CID 139453133) is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxamide is CCc1nc(C(=O)NS(=O)(=O)c2cc(OC)ccc2Cl)cn1-c1cc(F)cc(F)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxamide?
The InChIKey is RQRJLPWYIMFGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O4S/c1-3-18-23-16(10-25(18)13-7-11(21)6-12(22)8-13)19(26)24-30(27,28)17-9-14(29-2)4-5-15(17)20/h4-10H,3H2,1-2H3,(H,24,26).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxamide has a molecular weight of 455.87 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxamide is sourced from PubChem (CID 139453133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).