N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide

C22H28FN3O5S — CID 2954480

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCCN1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C22H28FN3O5S/c1-4-24-11-13-25(14-12-24)22(27)16-26(18-7-5-17(23)6-8-18)32(28,29)19-9-10-20(30-2)21(15-19)31-3/h5-10,15H,4,11-14,16H2,1-3H3
InChIKeyVUODHDQYXMJVPA-UHFFFAOYSA-N
MW465.55 g/mol
LogP2.20
Rot. Bonds8

About N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide

N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 2954480) has the molecular formula C22H28FN3O5S and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID2954480
Molecular FormulaC22H28FN3O5S
Molecular Weight465.55 g/mol
Exact Mass465.17
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCCN1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C22H28FN3O5S/c1-4-24-11-13-25(14-12-24)22(27)16-26(18-7-5-17(23)6-8-18)32(28,29)19-9-10-20(30-2)21(15-19)31-3/h5-10,15H,4,11-14,16H2,1-3H3
InChIKeyVUODHDQYXMJVPA-UHFFFAOYSA-N
XLogP2.20
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperazine
CID 1148713
N-(2-Methoxy-phenyl)-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 651524
N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 722337
N-[(3,4-dimethoxyphenyl)sulfonyl]-N-(4-methoxyphenyl)glycine
CID 1123806
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-(2-methoxyphenyl)piperazine
CID 1201987
2-[N-(4-Methoxyphenyl)3,4-dimethoxybenzenesulfonamido]-N-(1-phenylethyl)acetamide
CID 2860019
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2948005
1-(4-Fluorophenyl)-4-{3-[(4-methoxyphenyl)sulfonyl]propanoyl}piperazine
CID 3355141
4-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl]-3,4-dihydroquinoxalin-2(1H)-one
CID 5301682
3-(3,4-Dimethoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10714544
2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimethoxyphenylsulfonamido)-N,N-diethylacetamide
CID 24760747

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide (CID 2954480) is N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide is CCN1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is VUODHDQYXMJVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O5S/c1-4-24-11-13-25(14-12-24)22(27)16-26(18-7-5-17(23)6-8-18)32(28,29)19-9-10-20(30-2)21(15-19)31-3/h5-10,15H,4,11-14,16H2,1-3H3.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide?
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 465.55 g/mol, XLogP of 2.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 2954480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).