N,N-bis(2-cyanoethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide

C20H19FN4O3S — CID 55370274

IUPACN,N-bis(2-cyanoethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(CCC#N)CCC#N)c2)cc1F
InChIInChI=1S/C20H19FN4O3S/c1-15-7-8-18(14-19(15)21)29(27,28)24-17-6-2-5-16(13-17)20(26)25(11-3-9-22)12-4-10-23/h2,5-8,13-14,24H,3-4,11-12H2,1H3
InChIKeyCIVHOFJQYOADKT-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.20
Rot. Bonds8

About N,N-bis(2-cyanoethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide

N,N-bis(2-cyanoethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide (PubChem CID 55370274) has the molecular formula C20H19FN4O3S and a molecular weight of 414.46 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
PubChem CID55370274
Molecular FormulaC20H19FN4O3S
Molecular Weight414.46 g/mol
Exact Mass414.12
IUPAC NameN,N-bis(2-cyanoethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(CCC#N)CCC#N)c2)cc1F
InChIInChI=1S/C20H19FN4O3S/c1-15-7-8-18(14-19(15)21)29(27,28)24-17-6-2-5-16(13-17)20(26)25(11-3-9-22)12-4-10-23/h2,5-8,13-14,24H,3-4,11-12H2,1H3
InChIKeyCIVHOFJQYOADKT-UHFFFAOYSA-N
XLogP3.20
TPSA114.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)benzamide
CID 78784405
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 60579589
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 26980104
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593247
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 18117406
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 27760804
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-fluorophenyl)benzamide
CID 9412516
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 9416278
N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55816215
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide
CID 78794508
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 46591499
N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 26560876

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide (CID 55370274) is N,N-bis(2-cyanoethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(CCC#N)CCC#N)c2)cc1F.
What is the InChIKey of N,N-bis(2-cyanoethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is CIVHOFJQYOADKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3S/c1-15-7-8-18(14-19(15)21)29(27,28)24-17-6-2-5-16(13-17)20(26)25(11-3-9-22)12-4-10-23/h2,5-8,13-14,24H,3-4,11-12H2,1H3.
What are the key properties of N,N-bis(2-cyanoethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
N,N-bis(2-cyanoethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 414.46 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 55370274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).