N-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

C20H24FN3O3S — CID 7388128

IUPACN-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H24FN3O3S/c1-16-3-9-19(10-4-16)28(26,27)24(15-17-5-7-18(21)8-6-17)20(25)23-13-11-22(2)12-14-23/h3-10H,11-15H2,1-2H3
InChIKeyKSPPNQWHWZGJLC-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.69
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 7388128) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID7388128
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H24FN3O3S/c1-16-3-9-19(10-4-16)28(26,27)24(15-17-5-7-18(21)8-6-17)20(25)23-13-11-22(2)12-14-23/h3-10H,11-15H2,1-2H3
InChIKeyKSPPNQWHWZGJLC-UHFFFAOYSA-N
XLogP2.69
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (CID 7388128) is N-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is KSPPNQWHWZGJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-16-3-9-19(10-4-16)28(26,27)24(15-17-5-7-18(21)8-6-17)20(25)23-13-11-22(2)12-14-23/h3-10H,11-15H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 7388128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).