4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide

C18H19N3O3S — CID 46653959

IUPAC4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(c2ccccc2)c2nccn2C)cc1
InChIInChI=1S/C18H19N3O3S/c1-21-13-12-19-18(21)17(14-6-4-3-5-7-14)20-25(22,23)16-10-8-15(24-2)9-11-16/h3-13,17,20H,1-2H3
InChIKeyJSIPIXUSYRNTIG-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.50
Rot. Bonds6

About 4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide

4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide (PubChem CID 46653959) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
PubChem CID46653959
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(c2ccccc2)c2nccn2C)cc1
InChIInChI=1S/C18H19N3O3S/c1-21-13-12-19-18(21)17(14-6-4-3-5-7-14)20-25(22,23)16-10-8-15(24-2)9-11-16/h3-13,17,20H,1-2H3
InChIKeyJSIPIXUSYRNTIG-UHFFFAOYSA-N
XLogP2.50
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethylbenzenesulfonamide
CID 112823084
3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 17397983
4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-nitrobenzenesulfonamide
CID 55456691
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 41023767
4-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25350052
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 55627297
2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541241
3,4-diethoxy-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541270
N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 40797952
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butane-1-sulfonamide
CID 94499205
(2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 55942208
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 40939712

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide (CID 46653959) is 4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC(c2ccccc2)c2nccn2C)cc1.
What is the InChIKey of 4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide?
The InChIKey is JSIPIXUSYRNTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-21-13-12-19-18(21)17(14-6-4-3-5-7-14)20-25(22,23)16-10-8-15(24-2)9-11-16/h3-13,17,20H,1-2H3.
What are the key properties of 4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide?
4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide is sourced from PubChem (CID 46653959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).