4-fluoro-N,N-dimethyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide

C19H22FN3O3S — CID 27243877

IUPAC4-fluoro-N,N-dimethyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H22FN3O3S/c1-21(2)27(25,26)16-8-9-18(20)17(14-16)19(24)23-12-10-22(11-13-23)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3
InChIKeyKZORUSAWRYNFBT-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.04
Rot. Bonds4

About 4-fluoro-N,N-dimethyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide

4-fluoro-N,N-dimethyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 27243877) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-fluoro-N,N-dimethyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N,N-dimethyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID27243877
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name4-fluoro-N,N-dimethyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H22FN3O3S/c1-21(2)27(25,26)16-8-9-18(20)17(14-16)19(24)23-12-10-22(11-13-23)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3
InChIKeyKZORUSAWRYNFBT-UHFFFAOYSA-N
XLogP2.04
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 46478927
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N,4-trimethylbenzenesulfonamide
CID 9146351
4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 26535482
N,N-diethyl-3-(4-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 29198849
3-(4-benzylpiperazine-1-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide
CID 26535171
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 1262123
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 26590767
N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 2715498
N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 9228437
N,N-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 2401851
[5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 152814620
3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide
CID 78802366

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-dimethyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N,N-dimethyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide (CID 27243877) is 4-fluoro-N,N-dimethyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N,N-dimethyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N,N-dimethyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 4-fluoro-N,N-dimethyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is KZORUSAWRYNFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-21(2)27(25,26)16-8-9-18(20)17(14-16)19(24)23-12-10-22(11-13-23)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 4-fluoro-N,N-dimethyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
4-fluoro-N,N-dimethyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 391.47 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-dimethyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 27243877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).