4-[2-(difluoromethylsulfonylamino)-4-methoxyphenyl]sulfonyl-N-ethylpiperazine-1-carboxamide

C15H22F2N4O6S2 — CID 166326235

IUPAC4-[2-(difluoromethylsulfonylamino)-4-methoxyphenyl]sulfonyl-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C15H22F2N4O6S2/c1-3-18-15(22)20-6-8-21(9-7-20)29(25,26)13-5-4-11(27-2)10-12(13)19-28(23,24)14(16)17/h4-5,10,14,19H,3,6-9H2,1-2H3,(H,18,22)
InChIKeyKOLAOABEWDZPDR-UHFFFAOYSA-N
MW456.49 g/mol
LogP0.70
Rot. Bonds7

About 4-[2-(difluoromethylsulfonylamino)-4-methoxyphenyl]sulfonyl-N-ethylpiperazine-1-carboxamide

4-[2-(difluoromethylsulfonylamino)-4-methoxyphenyl]sulfonyl-N-ethylpiperazine-1-carboxamide (PubChem CID 166326235) has the molecular formula C15H22F2N4O6S2 and a molecular weight of 456.49 g/mol. Its IUPAC name is 4-[2-(difluoromethylsulfonylamino)-4-methoxyphenyl]sulfonyl-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(difluoromethylsulfonylamino)-4-methoxyphenyl]sulfonyl-N-ethylpiperazine-1-carboxamide
PubChem CID166326235
Molecular FormulaC15H22F2N4O6S2
Molecular Weight456.49 g/mol
Exact Mass456.09
IUPAC Name4-[2-(difluoromethylsulfonylamino)-4-methoxyphenyl]sulfonyl-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C15H22F2N4O6S2/c1-3-18-15(22)20-6-8-21(9-7-20)29(25,26)13-5-4-11(27-2)10-12(13)19-28(23,24)14(16)17/h4-5,10,14,19H,3,6-9H2,1-2H3,(H,18,22)
InChIKeyKOLAOABEWDZPDR-UHFFFAOYSA-N
XLogP0.70
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 91669968
4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 110811229
4-(3-aminophenyl)sulfonyl-N-ethylpiperazine-1-carboxamide
CID 61127355
4-(2,5-dimethoxyphenyl)sulfonyl-N-octan-2-ylpiperazine-1-carboxamide
CID 55589985
N-[2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methoxyphenyl]ethanesulfonamide
CID 120725841
1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110818820
1-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817974
4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 110811098
cyclobutyl-[4-(4-methoxy-2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110799397
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119692279
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119692273
1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 113072995

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethylsulfonylamino)-4-methoxyphenyl]sulfonyl-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(difluoromethylsulfonylamino)-4-methoxyphenyl]sulfonyl-N-ethylpiperazine-1-carboxamide (CID 166326235) is 4-[2-(difluoromethylsulfonylamino)-4-methoxyphenyl]sulfonyl-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(difluoromethylsulfonylamino)-4-methoxyphenyl]sulfonyl-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(difluoromethylsulfonylamino)-4-methoxyphenyl]sulfonyl-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)CC1.
What is the InChIKey of 4-[2-(difluoromethylsulfonylamino)-4-methoxyphenyl]sulfonyl-N-ethylpiperazine-1-carboxamide?
The InChIKey is KOLAOABEWDZPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O6S2/c1-3-18-15(22)20-6-8-21(9-7-20)29(25,26)13-5-4-11(27-2)10-12(13)19-28(23,24)14(16)17/h4-5,10,14,19H,3,6-9H2,1-2H3,(H,18,22).
What are the key properties of 4-[2-(difluoromethylsulfonylamino)-4-methoxyphenyl]sulfonyl-N-ethylpiperazine-1-carboxamide?
4-[2-(difluoromethylsulfonylamino)-4-methoxyphenyl]sulfonyl-N-ethylpiperazine-1-carboxamide has a molecular weight of 456.49 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethylsulfonylamino)-4-methoxyphenyl]sulfonyl-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 166326235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).