3-(4-fluorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

C19H22FN3O3S — CID 110602930

IUPAC3-(4-fluorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCN(C)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H22FN3O3S/c1-14-3-9-17(10-4-14)27(25,26)21-19(24)23-12-11-22(2)18(13-23)15-5-7-16(20)8-6-15/h3-10,18H,11-13H2,1-2H3,(H,21,24)
InChIKeyIENVSFGHOZRMPH-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.52
Rot. Bonds3

About 3-(4-fluorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

3-(4-fluorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 110602930) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID110602930
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name3-(4-fluorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCN(C)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H22FN3O3S/c1-14-3-9-17(10-4-14)27(25,26)21-19(24)23-12-11-22(2)18(13-23)15-5-7-16(20)8-6-15/h3-10,18H,11-13H2,1-2H3,(H,21,24)
InChIKeyIENVSFGHOZRMPH-UHFFFAOYSA-N
XLogP2.52
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-4-methyl-N-(3-methylbutyl)piperazine-1-carboxamide
CID 110617343
1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110610609
[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 84513587
N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 110418645
4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110749471
4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110364713
4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110748344
N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
CID 25047509
(2R)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 101342795
(2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine
CID 145285160
N-(4-methylphenyl)sulfonyl-4-propanoyl-1,4-diazepane-1-carboxamide
CID 110811315
4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide
CID 110350771

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (CID 110602930) is 3-(4-fluorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)N2CCN(C)C(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is IENVSFGHOZRMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-14-3-9-17(10-4-14)27(25,26)21-19(24)23-12-11-22(2)18(13-23)15-5-7-16(20)8-6-15/h3-10,18H,11-13H2,1-2H3,(H,21,24).
What are the key properties of 3-(4-fluorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
3-(4-fluorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 110602930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).