N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide

C22H27N3O6S — CID 55598113

IUPACN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
SMILESCOc1cc(OC)cc(C(NS(=O)(=O)c2cc(OC)c(OC)cc2C)c2nccn2C)c1
InChIInChI=1S/C22H27N3O6S/c1-14-9-18(30-5)19(31-6)13-20(14)32(26,27)24-21(22-23-7-8-25(22)2)15-10-16(28-3)12-17(11-15)29-4/h7-13,21,24H,1-6H3
InChIKeyQJSUWJMVPBQZJH-UHFFFAOYSA-N
MW461.54 g/mol
LogP2.83
Rot. Bonds9

About N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide (PubChem CID 55598113) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
PubChem CID55598113
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
SMILESCOc1cc(OC)cc(C(NS(=O)(=O)c2cc(OC)c(OC)cc2C)c2nccn2C)c1
InChIInChI=1S/C22H27N3O6S/c1-14-9-18(30-5)19(31-6)13-20(14)32(26,27)24-21(22-23-7-8-25(22)2)15-10-16(28-3)12-17(11-15)29-4/h7-13,21,24H,1-6H3
InChIKeyQJSUWJMVPBQZJH-UHFFFAOYSA-N
XLogP2.83
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-imidazole-5-sulfonamide
CID 139001132
N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 40797952
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 55627297
N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-4-methylphenyl]acetamide
CID 55456688
4-methoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethylbenzenesulfonamide
CID 112823084
2,5-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541230
2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541241
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 51274932
tert-butyl N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamate
CID 95318789
4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 46653959
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 51273479
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47015013

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide (CID 55598113) is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide is COc1cc(OC)cc(C(NS(=O)(=O)c2cc(OC)c(OC)cc2C)c2nccn2C)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide?
The InChIKey is QJSUWJMVPBQZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S/c1-14-9-18(30-5)19(31-6)13-20(14)32(26,27)24-21(22-23-7-8-25(22)2)15-10-16(28-3)12-17(11-15)29-4/h7-13,21,24H,1-6H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide?
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide has a molecular weight of 461.54 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 55598113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).