N-[[4-[[(2,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl]-1H-imidazole-2-carboxamide

C18H16F2N4O3S — CID 130431511

IUPACN-[[4-[[(2,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl]-1H-imidazole-2-carboxamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccc(F)cc2F)cc1)c1ncc[nH]1
InChIInChI=1S/C18H16F2N4O3S/c19-14-5-6-16(15(20)9-14)28(26,27)24-11-13-3-1-12(2-4-13)10-23-18(25)17-21-7-8-22-17/h1-9,24H,10-11H2,(H,21,22)(H,23,25)
InChIKeyRQMUXHYJZOQTGO-UHFFFAOYSA-N
MW406.41 g/mol
LogP2.10
Rot. Bonds7

About N-[[4-[[(2,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl]-1H-imidazole-2-carboxamide

N-[[4-[[(2,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl]-1H-imidazole-2-carboxamide (PubChem CID 130431511) has the molecular formula C18H16F2N4O3S and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[[4-[[(2,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(2,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl]-1H-imidazole-2-carboxamide
PubChem CID130431511
Molecular FormulaC18H16F2N4O3S
Molecular Weight406.41 g/mol
Exact Mass406.09
IUPAC NameN-[[4-[[(2,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl]-1H-imidazole-2-carboxamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccc(F)cc2F)cc1)c1ncc[nH]1
InChIInChI=1S/C18H16F2N4O3S/c19-14-5-6-16(15(20)9-14)28(26,27)24-11-13-3-1-12(2-4-13)10-23-18(25)17-21-7-8-22-17/h1-9,24H,10-11H2,(H,21,22)(H,23,25)
InChIKeyRQMUXHYJZOQTGO-UHFFFAOYSA-N
XLogP2.10
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[[4-[[(2,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl]-1H-imidazole-2-carboxamide (CID 130431511) is N-[[4-[[(2,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[[4-[[(2,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[[4-[[(2,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl]-1H-imidazole-2-carboxamide is O=C(NCc1ccc(CNS(=O)(=O)c2ccc(F)cc2F)cc1)c1ncc[nH]1.
What is the InChIKey of N-[[4-[[(2,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl]-1H-imidazole-2-carboxamide?
The InChIKey is RQMUXHYJZOQTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3S/c19-14-5-6-16(15(20)9-14)28(26,27)24-11-13-3-1-12(2-4-13)10-23-18(25)17-21-7-8-22-17/h1-9,24H,10-11H2,(H,21,22)(H,23,25).
What are the key properties of N-[[4-[[(2,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl]-1H-imidazole-2-carboxamide?
N-[[4-[[(2,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl]-1H-imidazole-2-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 130431511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).