2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cycloheptylacetamide

C21H25FN2O3S — CID 1315019

IUPAC2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cycloheptylacetamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NC1CCCCCC1
InChIInChI=1S/C21H25FN2O3S/c22-17-12-14-19(15-13-17)24(28(26,27)20-10-6-3-7-11-20)16-21(25)23-18-8-4-1-2-5-9-18/h3,6-7,10-15,18H,1-2,4-5,8-9,16H2,(H,23,25)
InChIKeyWSIKXEYECUEWBZ-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.86
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cycloheptylacetamide

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cycloheptylacetamide (PubChem CID 1315019) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cycloheptylacetamide
PubChem CID1315019
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cycloheptylacetamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NC1CCCCCC1
InChIInChI=1S/C21H25FN2O3S/c22-17-12-14-19(15-13-17)24(28(26,27)20-10-6-3-7-11-20)16-21(25)23-18-8-4-1-2-5-9-18/h3,6-7,10-15,18H,1-2,4-5,8-9,16H2,(H,23,25)
InChIKeyWSIKXEYECUEWBZ-UHFFFAOYSA-N
XLogP3.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
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N-(2,4-difluorophenyl)-2-[(phenylsulfonyl)amino]acetamide
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2-(Cyclohexyl-methanesulfonyl-amino)-N-(2,4-difluoro-phenyl)-acetamide
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N~2~-cyclohexyl-N~1~-(2-fluorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 964121
2-Azepan-1-yl-N-[4-(piperidine-1-sulfonyl)-phenyl]-acetamide
CID 1152663
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
5-[(2,4-difluorophenyl)sulfonyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CID 2814935
5-[(3-fluorophenyl)sulfonyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
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CID 2978041

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cycloheptylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cycloheptylacetamide (CID 1315019) is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cycloheptylacetamide is O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NC1CCCCCC1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cycloheptylacetamide?
The InChIKey is WSIKXEYECUEWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c22-17-12-14-19(15-13-17)24(28(26,27)20-10-6-3-7-11-20)16-21(25)23-18-8-4-1-2-5-9-18/h3,6-7,10-15,18H,1-2,4-5,8-9,16H2,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cycloheptylacetamide?
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cycloheptylacetamide has a molecular weight of 404.51 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cycloheptylacetamide is sourced from PubChem (CID 1315019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).