N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide

C19H22FN3O3S — CID 6467928

IUPACN-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H22FN3O3S/c1-14-11-15(2)13-17(12-14)21-19(24)22-7-9-23(10-8-22)27(25,26)18-5-3-16(20)4-6-18/h3-6,11-13H,7-10H2,1-2H3,(H,21,24)
InChIKeyRXCCFQZCUBAOPM-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.98
Rot. Bonds3

About N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide

N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 6467928) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide
PubChem CID6467928
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC NameN-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H22FN3O3S/c1-14-11-15(2)13-17(12-14)21-19(24)22-7-9-23(10-8-22)27(25,26)18-5-3-16(20)4-6-18/h3-6,11-13H,7-10H2,1-2H3,(H,21,24)
InChIKeyRXCCFQZCUBAOPM-UHFFFAOYSA-N
XLogP2.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6468041
4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 51168489
N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039
N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2710141
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 9326847
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 8924723
N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 17299399
(3-bromo-2-hydroxy-5-methylphenyl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 55929141
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 110637834
N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide
CID 6460433

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide (CID 6467928) is N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide is Cc1cc(C)cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is RXCCFQZCUBAOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-14-11-15(2)13-17(12-14)21-19(24)22-7-9-23(10-8-22)27(25,26)18-5-3-16(20)4-6-18/h3-6,11-13H,7-10H2,1-2H3,(H,21,24).
What are the key properties of N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide?
N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 6467928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).