4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide

C15H22FN3O3S — CID 110811098

IUPAC4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1
InChIInChI=1S/C15H22FN3O3S/c1-3-6-17-15(20)18-7-9-19(10-8-18)23(21,22)14-5-4-13(16)11-12(14)2/h4-5,11H,3,6-10H2,1-2H3,(H,17,20)
InChIKeyJRBFODSUQQOPLL-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.56
Rot. Bonds4

About 4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide

4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide (PubChem CID 110811098) has the molecular formula C15H22FN3O3S and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
PubChem CID110811098
Molecular FormulaC15H22FN3O3S
Molecular Weight343.42 g/mol
Exact Mass343.14
IUPAC Name4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1
InChIInChI=1S/C15H22FN3O3S/c1-3-6-17-15(20)18-7-9-19(10-8-18)23(21,22)14-5-4-13(16)11-12(14)2/h4-5,11H,3,6-10H2,1-2H3,(H,17,20)
InChIKeyJRBFODSUQQOPLL-UHFFFAOYSA-N
XLogP1.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluoro-2-methylphenyl)sulfonyl-N-propyl-1,4-diazepane-1-carboxamide
CID 110811980
4-(2,4-dimethylphenyl)sulfonyl-N-propyl-1,4-diazepane-1-carboxamide
CID 110811964
4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 6465159
methyl 4-(4-fluoro-2-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818500
4-(2,4-dimethylphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 9207906
N-tert-butyl-4-(4-fluoro-2-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 110811982
4-(2,4-dimethylphenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide
CID 38336408
4-(4-fluoro-3-methylphenyl)sulfonyl-N-propyl-1,4-diazepane-1-carboxamide
CID 110811977
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280
4-[(4-fluorophenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide
CID 110811161
4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 27534466
N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 110823232

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide (CID 110811098) is 4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
The InChIKey is JRBFODSUQQOPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3S/c1-3-6-17-15(20)18-7-9-19(10-8-18)23(21,22)14-5-4-13(16)11-12(14)2/h4-5,11H,3,6-10H2,1-2H3,(H,17,20).
What are the key properties of 4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110811098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).