N-(4-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide

C14H14F3N3O4S — CID 139452909

IUPACN-(4-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2cn(CCC(F)(F)F)cn2)cc1
InChIInChI=1S/C14H14F3N3O4S/c1-24-10-2-4-11(5-3-10)25(22,23)19-13(21)12-8-20(9-18-12)7-6-14(15,16)17/h2-5,8-9H,6-7H2,1H3,(H,19,21)
InChIKeyPIRIGUWMHAAPGJ-UHFFFAOYSA-N
MW377.34 g/mol
LogP1.96
Rot. Bonds6

About N-(4-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide

N-(4-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide (PubChem CID 139452909) has the molecular formula C14H14F3N3O4S and a molecular weight of 377.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
PubChem CID139452909
Molecular FormulaC14H14F3N3O4S
Molecular Weight377.34 g/mol
Exact Mass377.07
IUPAC NameN-(4-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2cn(CCC(F)(F)F)cn2)cc1
InChIInChI=1S/C14H14F3N3O4S/c1-24-10-2-4-11(5-3-10)25(22,23)19-13(21)12-8-20(9-18-12)7-6-14(15,16)17/h2-5,8-9H,6-7H2,1H3,(H,19,21)
InChIKeyPIRIGUWMHAAPGJ-UHFFFAOYSA-N
XLogP1.96
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide (CID 139452909) is N-(4-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide is COc1ccc(S(=O)(=O)NC(=O)c2cn(CCC(F)(F)F)cn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The InChIKey is PIRIGUWMHAAPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O4S/c1-24-10-2-4-11(5-3-10)25(22,23)19-13(21)12-8-20(9-18-12)7-6-14(15,16)17/h2-5,8-9H,6-7H2,1H3,(H,19,21).
What are the key properties of N-(4-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
N-(4-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide has a molecular weight of 377.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide is sourced from PubChem (CID 139452909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).