N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide

C19H22FN3O3S — CID 18508923

IUPACN-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(N2CCN(C)CC2)ccc1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H22FN3O3S/c1-14(24)21-18-13-16(23-10-8-22(2)9-11-23)6-7-19(18)27(25,26)17-5-3-4-15(20)12-17/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)
InChIKeyXWSZUCZSTVIAAH-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.37
Rot. Bonds4

About N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide

N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 18508923) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID18508923
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC NameN-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(N2CCN(C)CC2)ccc1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H22FN3O3S/c1-14(24)21-18-13-16(23-10-8-22(2)9-11-23)6-7-19(18)27(25,26)17-5-3-4-15(20)12-17/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)
InChIKeyXWSZUCZSTVIAAH-UHFFFAOYSA-N
XLogP2.37
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)-N-propylaniline
CID 18508938
N-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18508987
2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline
CID 18508888
N-[2-(3,5-difluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)phenyl]butanamide
CID 90802798
2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline
CID 18508958
N-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide
CID 22272539
2-(3,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-N-propylaniline
CID 18508983
2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)aniline
CID 10269278
3-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 952383
N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide
CID 59454307
N-ethyl-N-[2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18508984
3-[(3-fluorophenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46291743

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 18508923) is N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide is CC(=O)Nc1cc(N2CCN(C)CC2)ccc1S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is XWSZUCZSTVIAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-14(24)21-18-13-16(23-10-8-22(2)9-11-23)6-7-19(18)27(25,26)17-5-3-4-15(20)12-17/h3-7,12-13H,8-11H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide?
N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 391.47 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 18508923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).