N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-N-methylmethanesulfonamide

C20H24FN3O3S — CID 50946547

IUPACN-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-N-methylmethanesulfonamide
SMILESCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1N(C)S(C)(=O)=O
InChIInChI=1S/C20H24FN3O3S/c1-15-14-16(8-9-18(15)22(2)28(3,26)27)20(25)24-12-10-23(11-13-24)19-7-5-4-6-17(19)21/h4-9,14H,10-13H2,1-3H3
InChIKeyANORMWUKWWBCDF-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.49
Rot. Bonds4

About N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-N-methylmethanesulfonamide

N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-N-methylmethanesulfonamide (PubChem CID 50946547) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-N-methylmethanesulfonamide
PubChem CID50946547
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC NameN-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-N-methylmethanesulfonamide
SMILESCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1N(C)S(C)(=O)=O
InChIInChI=1S/C20H24FN3O3S/c1-15-14-16(8-9-18(15)22(2)28(3,26)27)20(25)24-12-10-23(11-13-24)19-7-5-4-6-17(19)21/h4-9,14H,10-13H2,1-3H3
InChIKeyANORMWUKWWBCDF-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 26590767
[4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 34229440
1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 798083
N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 46770608
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 31113066
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387959
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
N-[2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide
CID 1019161
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 2972000

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-N-methylmethanesulfonamide (CID 50946547) is N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-N-methylmethanesulfonamide is Cc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1N(C)S(C)(=O)=O.
What is the InChIKey of N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-N-methylmethanesulfonamide?
The InChIKey is ANORMWUKWWBCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-15-14-16(8-9-18(15)22(2)28(3,26)27)20(25)24-12-10-23(11-13-24)19-7-5-4-6-17(19)21/h4-9,14H,10-13H2,1-3H3.
What are the key properties of N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-N-methylmethanesulfonamide?
N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-N-methylmethanesulfonamide has a molecular weight of 405.50 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 50946547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).