4-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-fluorophenyl)benzamide

C19H22FN3O3S — CID 109060427

IUPAC4-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-fluorophenyl)benzamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3F)cc2)CC1
InChIInChI=1S/C19H22FN3O3S/c1-2-22-11-13-23(14-12-22)27(25,26)16-9-7-15(8-10-16)19(24)21-18-6-4-3-5-17(18)20/h3-10H,2,11-14H2,1H3,(H,21,24)
InChIKeyIQKPYCCNEJWXKH-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.40
Rot. Bonds5

About 4-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-fluorophenyl)benzamide

4-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-fluorophenyl)benzamide (PubChem CID 109060427) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-fluorophenyl)benzamide
PubChem CID109060427
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name4-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-fluorophenyl)benzamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3F)cc2)CC1
InChIInChI=1S/C19H22FN3O3S/c1-2-22-11-13-23(14-12-22)27(25,26)16-9-7-15(8-10-16)19(24)21-18-6-4-3-5-17(18)20/h3-10H,2,11-14H2,1H3,(H,21,24)
InChIKeyIQKPYCCNEJWXKH-UHFFFAOYSA-N
XLogP2.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(2-fluorophenyl)benzamide
CID 43921389
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 8746898
N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-fluorophenyl]-4-chlorobenzamide
CID 18892684
N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55375941
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide
CID 109059487
N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 55613517
N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 1355774
4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide
CID 71902996
ethyl 4-[4-(naphthalen-1-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 23881284
4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-propan-2-ylphenyl)benzamide
CID 43923946
4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide
CID 8759383

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-fluorophenyl)benzamide?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-fluorophenyl)benzamide (CID 109060427) is 4-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-fluorophenyl)benzamide.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-fluorophenyl)benzamide?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-fluorophenyl)benzamide is CCN1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3F)cc2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-fluorophenyl)benzamide?
The InChIKey is IQKPYCCNEJWXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-2-22-11-13-23(14-12-22)27(25,26)16-9-7-15(8-10-16)19(24)21-18-6-4-3-5-17(18)20/h3-10H,2,11-14H2,1H3,(H,21,24).
What are the key properties of 4-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-fluorophenyl)benzamide?
4-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-fluorophenyl)benzamide has a molecular weight of 391.47 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-fluorophenyl)benzamide is sourced from PubChem (CID 109060427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).