N-[5-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide

C19H23N3O4S — CID 139230545

IUPACN-[5-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(CC2N=C(NS(=O)(=O)c3ccc(C)cc3)N(C)C2O)cc1
InChIInChI=1S/C19H23N3O4S/c1-13-4-10-16(11-5-13)27(24,25)21-19-20-17(18(23)22(19)2)12-14-6-8-15(26-3)9-7-14/h4-11,17-18,23H,12H2,1-3H3,(H,20,21)
InChIKeyDHDUKRWFAQUIOU-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.51
Rot. Bonds5

About N-[5-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide

N-[5-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide (PubChem CID 139230545) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[5-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide
PubChem CID139230545
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[5-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(CC2N=C(NS(=O)(=O)c3ccc(C)cc3)N(C)C2O)cc1
InChIInChI=1S/C19H23N3O4S/c1-13-4-10-16(11-5-13)27(24,25)21-19-20-17(18(23)22(19)2)12-14-6-8-15(26-3)9-7-14/h4-11,17-18,23H,12H2,1-3H3,(H,20,21)
InChIKeyDHDUKRWFAQUIOU-UHFFFAOYSA-N
XLogP1.51
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
N-[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxamide
CID 20910480
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 43002336
N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 1101866
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
N-[(4-methoxyphenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062773
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide
CID 22778694
(2S)-3-(4-methoxyphenyl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 101267303
N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide
CID 23604885
tert-butyl 2-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)sulfonyl-2H-pyridine-1-carboxylate
CID 134934554
4-methyl-N-(2,4,6-trimethoxyphenyl)benzenesulfonamide
CID 110778552

Frequently Asked Questions

What is the IUPAC name of N-[5-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide (CID 139230545) is N-[5-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide is COc1ccc(CC2N=C(NS(=O)(=O)c3ccc(C)cc3)N(C)C2O)cc1.
What is the InChIKey of N-[5-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is DHDUKRWFAQUIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13-4-10-16(11-5-13)27(24,25)21-19-20-17(18(23)22(19)2)12-14-6-8-15(26-3)9-7-14/h4-11,17-18,23H,12H2,1-3H3,(H,20,21).
What are the key properties of N-[5-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide?
N-[5-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 139230545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).