2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide

C24H21FN4O3S — CID 92685437

IUPAC2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C24H21FN4O3S/c25-20-10-12-21(13-11-20)29(33(31,32)22-7-2-1-3-8-22)17-24(30)27-16-19-6-4-5-9-23(19)28-15-14-26-18-28/h1-15,18H,16-17H2,(H,27,30)
InChIKeyPNHFUJFIHBNVCI-UHFFFAOYSA-N
MW464.52 g/mol
LogP3.52
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide (PubChem CID 92685437) has the molecular formula C24H21FN4O3S and a molecular weight of 464.52 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
PubChem CID92685437
Molecular FormulaC24H21FN4O3S
Molecular Weight464.52 g/mol
Exact Mass464.13
IUPAC Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C24H21FN4O3S/c25-20-10-12-21(13-11-20)29(33(31,32)22-7-2-1-3-8-22)17-24(30)27-16-19-6-4-5-9-23(19)28-15-14-26-18-28/h1-15,18H,16-17H2,(H,27,30)
InChIKeyPNHFUJFIHBNVCI-UHFFFAOYSA-N
XLogP3.52
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 30303585
N-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 92679723
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46778185
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92673863
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 1137711
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 4589400
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 30263745
4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide
CID 60580487
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30303835
N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 4240741
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 30307161
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 30265447

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide (CID 92685437) is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide is O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1ccnc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The InChIKey is PNHFUJFIHBNVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3S/c25-20-10-12-21(13-11-20)29(33(31,32)22-7-2-1-3-8-22)17-24(30)27-16-19-6-4-5-9-23(19)28-15-14-26-18-28/h1-15,18H,16-17H2,(H,27,30).
What are the key properties of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide has a molecular weight of 464.52 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 92685437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).