N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-1H-imidazole-2-sulfonamide

C18H16N4O3S — CID 167778015

IUPACN-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-1H-imidazole-2-sulfonamide
SMILESCc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1ncc[nH]1
InChIInChI=1S/C18H16N4O3S/c1-13-9-16(25-12-15-4-2-3-14(10-15)11-19)5-6-17(13)22-26(23,24)18-20-7-8-21-18/h2-10,22H,12H2,1H3,(H,20,21)
InChIKeyWCQLIWFTPFBAAT-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.97
Rot. Bonds6

About N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-1H-imidazole-2-sulfonamide

N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-1H-imidazole-2-sulfonamide (PubChem CID 167778015) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-1H-imidazole-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-1H-imidazole-2-sulfonamide
PubChem CID167778015
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC NameN-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-1H-imidazole-2-sulfonamide
SMILESCc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1ncc[nH]1
InChIInChI=1S/C18H16N4O3S/c1-13-9-16(25-12-15-4-2-3-14(10-15)11-19)5-6-17(13)22-26(23,24)18-20-7-8-21-18/h2-10,22H,12H2,1H3,(H,20,21)
InChIKeyWCQLIWFTPFBAAT-UHFFFAOYSA-N
XLogP2.97
TPSA107.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[[4-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]methyl]benzonitrile
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3-[(3-tert-butylphenoxy)methyl]benzonitrile
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N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
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N-(4-cyano-2-fluorophenyl)-6-phenylmethoxy-1H-indole-3-sulfonamide
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3-[[4-(1-aminopropyl)phenoxy]methyl]benzonitrile
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3-[[4-[(propan-2-ylamino)methyl]phenoxy]methyl]benzonitrile
CID 60878569

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-1H-imidazole-2-sulfonamide?
The IUPAC name of N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-1H-imidazole-2-sulfonamide (CID 167778015) is N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-1H-imidazole-2-sulfonamide.
What is the SMILES notation for N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-1H-imidazole-2-sulfonamide?
The canonical SMILES for N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-1H-imidazole-2-sulfonamide is Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1ncc[nH]1.
What is the InChIKey of N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-1H-imidazole-2-sulfonamide?
The InChIKey is WCQLIWFTPFBAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-13-9-16(25-12-15-4-2-3-14(10-15)11-19)5-6-17(13)22-26(23,24)18-20-7-8-21-18/h2-10,22H,12H2,1H3,(H,20,21).
What are the key properties of N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-1H-imidazole-2-sulfonamide?
N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-1H-imidazole-2-sulfonamide has a molecular weight of 368.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-1H-imidazole-2-sulfonamide is sourced from PubChem (CID 167778015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).