5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide

C24H22FN3O3S — CID 46182359

IUPAC5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C#N)cc2)ccc1F
InChIInChI=1S/C24H22FN3O3S/c1-17(2)27-24(29)22-14-20(10-13-23(22)25)28(16-19-6-4-3-5-7-19)32(30,31)21-11-8-18(15-26)9-12-21/h3-14,17H,16H2,1-2H3,(H,27,29)
InChIKeyLQRBBAUAQUZHRJ-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.23
Rot. Bonds7

About 5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide

5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide (PubChem CID 46182359) has the molecular formula C24H22FN3O3S and a molecular weight of 451.52 g/mol. Its IUPAC name is 5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
PubChem CID46182359
Molecular FormulaC24H22FN3O3S
Molecular Weight451.52 g/mol
Exact Mass451.14
IUPAC Name5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C#N)cc2)ccc1F
InChIInChI=1S/C24H22FN3O3S/c1-17(2)27-24(29)22-14-20(10-13-23(22)25)28(16-19-6-4-3-5-7-19)32(30,31)21-11-8-18(15-26)9-12-21/h3-14,17H,16H2,1-2H3,(H,27,29)
InChIKeyLQRBBAUAQUZHRJ-UHFFFAOYSA-N
XLogP4.23
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzenesulfonyl(benzyl)amino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(4-fluorophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
CID 87089724
N-benzyl-4-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 132502971
2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide
CID 1203953
tert-butyl 5-[(4-chlorophenyl)methyl-(3-cyanophenyl)sulfonylamino]-2-fluorobenzoate
CID 68620097
3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide
CID 46182506
4-chloro-N-[(4-cyanophenyl)methyl]-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 58129247
N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021764
2-[[2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132694705
N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 46014799
(2S)-2-[[2-(N-(4-chlorophenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100686896
2-[[2-(N-(4-chlorophenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132687345
2-[[2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132690327

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of 5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide (CID 46182359) is 5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for 5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C#N)cc2)ccc1F.
What is the InChIKey of 5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide?
The InChIKey is LQRBBAUAQUZHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3S/c1-17(2)27-24(29)22-14-20(10-13-23(22)25)28(16-19-6-4-3-5-7-19)32(30,31)21-11-8-18(15-26)9-12-21/h3-14,17H,16H2,1-2H3,(H,27,29).
What are the key properties of 5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide?
5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide has a molecular weight of 451.52 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 46182359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).