2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide

C25H25N3O3S — CID 67702345

IUPAC2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
SMILESCCc1ccccc1-c1ccccc1S(=O)(=O)Nc1ccc(-n2cnc(C)c2)c(OC)c1
InChIInChI=1S/C25H25N3O3S/c1-4-19-9-5-6-10-21(19)22-11-7-8-12-25(22)32(29,30)27-20-13-14-23(24(15-20)31-3)28-16-18(2)26-17-28/h5-17,27H,4H2,1-3H3
InChIKeyIXVQTKBNGNSNCF-UHFFFAOYSA-N
MW447.56 g/mol
LogP5.22
Rot. Bonds7

About 2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide

2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 67702345) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
PubChem CID67702345
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
SMILESCCc1ccccc1-c1ccccc1S(=O)(=O)Nc1ccc(-n2cnc(C)c2)c(OC)c1
InChIInChI=1S/C25H25N3O3S/c1-4-19-9-5-6-10-21(19)22-11-7-8-12-25(22)32(29,30)27-20-13-14-23(24(15-20)31-3)28-16-18(2)26-17-28/h5-17,27H,4H2,1-3H3
InChIKeyIXVQTKBNGNSNCF-UHFFFAOYSA-N
XLogP5.22
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67700517
N-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide
CID 67809218
2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67700505
2-[2-chloro-4-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67808781
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
CID 67702026
3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride
CID 59591064
(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide
CID 25184551
2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide
CID 72543944
2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-5-phenylpyrimidin-4-yl]-2-phenylacetic acid
CID 68630360
2-[(1S)-1-[2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-1,3-thiazol-4-yl]-3-methylbutyl]benzenesulfonamide
CID 140531619
2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine
CID 141273914
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide (CID 67702345) is 2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide is CCc1ccccc1-c1ccccc1S(=O)(=O)Nc1ccc(-n2cnc(C)c2)c(OC)c1.
What is the InChIKey of 2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is IXVQTKBNGNSNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-4-19-9-5-6-10-21(19)22-11-7-8-12-25(22)32(29,30)27-20-13-14-23(24(15-20)31-3)28-16-18(2)26-17-28/h5-17,27H,4H2,1-3H3.
What are the key properties of 2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide?
2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 447.56 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 67702345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).