N-methyl-N-(4-phenylmethoxyphenyl)-1H-imidazole-5-sulfonamide

C17H17N3O3S — CID 91661684

IUPACN-methyl-N-(4-phenylmethoxyphenyl)-1H-imidazole-5-sulfonamide
SMILESCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C17H17N3O3S/c1-20(24(21,22)17-11-18-13-19-17)15-7-9-16(10-8-15)23-12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,18,19)
InChIKeyJBSSKNHTSSGKTC-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.81
Rot. Bonds6

About N-methyl-N-(4-phenylmethoxyphenyl)-1H-imidazole-5-sulfonamide

N-methyl-N-(4-phenylmethoxyphenyl)-1H-imidazole-5-sulfonamide (PubChem CID 91661684) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-methyl-N-(4-phenylmethoxyphenyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(4-phenylmethoxyphenyl)-1H-imidazole-5-sulfonamide
PubChem CID91661684
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-methyl-N-(4-phenylmethoxyphenyl)-1H-imidazole-5-sulfonamide
SMILESCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C17H17N3O3S/c1-20(24(21,22)17-11-18-13-19-17)15-7-9-16(10-8-15)23-12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,18,19)
InChIKeyJBSSKNHTSSGKTC-UHFFFAOYSA-N
XLogP2.81
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 59728086
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CID 2489691
N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]-1H-imidazole-5-sulfonamide
CID 53185087
1H-imidazol-5-ylsulfonyl(phenyl)carbamic acid
CID 54530501
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3-methoxycarbonyl-5-[methyl-(4-phenylmethoxyphenyl)sulfonylamino]benzoic acid
CID 58880278
N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1H-imidazole-5-sulfonamide
CID 75388292
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
6-(dimethylamino)-2-(4-phenylmethoxyphenyl)-1H-quinolin-4-one
CID 66659280
[4-[methylsulfonyl-[(4-phenylmethoxyphenyl)methyl]amino]phenyl] methanesulfonate
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CID 66645002

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-phenylmethoxyphenyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-methyl-N-(4-phenylmethoxyphenyl)-1H-imidazole-5-sulfonamide (CID 91661684) is N-methyl-N-(4-phenylmethoxyphenyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-(4-phenylmethoxyphenyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-methyl-N-(4-phenylmethoxyphenyl)-1H-imidazole-5-sulfonamide is CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-methyl-N-(4-phenylmethoxyphenyl)-1H-imidazole-5-sulfonamide?
The InChIKey is JBSSKNHTSSGKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-20(24(21,22)17-11-18-13-19-17)15-7-9-16(10-8-15)23-12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,18,19).
What are the key properties of N-methyl-N-(4-phenylmethoxyphenyl)-1H-imidazole-5-sulfonamide?
N-methyl-N-(4-phenylmethoxyphenyl)-1H-imidazole-5-sulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-phenylmethoxyphenyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 91661684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).