N-(3-fluoro-5-methylphenyl)piperazine-1-sulfonamide

C11H16FN3O2S — CID 79049509

IUPACN-(3-fluoro-5-methylphenyl)piperazine-1-sulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)N2CCNCC2)c1
InChIInChI=1S/C11H16FN3O2S/c1-9-6-10(12)8-11(7-9)14-18(16,17)15-4-2-13-3-5-15/h6-8,13-14H,2-5H2,1H3
InChIKeyUSIATTOGJVHSPP-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.70
Rot. Bonds3

About N-(3-fluoro-5-methylphenyl)piperazine-1-sulfonamide

N-(3-fluoro-5-methylphenyl)piperazine-1-sulfonamide (PubChem CID 79049509) has the molecular formula C11H16FN3O2S and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)piperazine-1-sulfonamide
PubChem CID79049509
Molecular FormulaC11H16FN3O2S
Molecular Weight273.33 g/mol
Exact Mass273.09
IUPAC NameN-(3-fluoro-5-methylphenyl)piperazine-1-sulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)N2CCNCC2)c1
InChIInChI=1S/C11H16FN3O2S/c1-9-6-10(12)8-11(7-9)14-18(16,17)15-4-2-13-3-5-15/h6-8,13-14H,2-5H2,1H3
InChIKeyUSIATTOGJVHSPP-UHFFFAOYSA-N
XLogP0.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070511
N-(3-fluoro-5-methylphenyl)piperidine-4-sulfonamide
CID 79049357
N-(2,4-dimethylphenyl)piperazine-1-sulfonamide
CID 28775571
N-(1-methylpyrazol-4-yl)piperazine-1-sulfonamide
CID 43535244
N-[3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
CID 28775811
N-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
CID 61252527
N-(4-cyanophenyl)piperazine-1-sulfonamide
CID 28775902
3-[(4,4-difluoropiperidin-1-yl)sulfonylamino]-5-methylbenzoic acid
CID 166266002
N-methyl-4-(piperazin-1-ylsulfonylamino)benzamide
CID 61253139
N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-sulfonamide
CID 61252719
N-(3,4-dicyanophenyl)piperazine-1-sulfonamide
CID 107791270
N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070512

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)piperazine-1-sulfonamide?
The IUPAC name of N-(3-fluoro-5-methylphenyl)piperazine-1-sulfonamide (CID 79049509) is N-(3-fluoro-5-methylphenyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)piperazine-1-sulfonamide is Cc1cc(F)cc(NS(=O)(=O)N2CCNCC2)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)piperazine-1-sulfonamide?
The InChIKey is USIATTOGJVHSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2S/c1-9-6-10(12)8-11(7-9)14-18(16,17)15-4-2-13-3-5-15/h6-8,13-14H,2-5H2,1H3.
What are the key properties of N-(3-fluoro-5-methylphenyl)piperazine-1-sulfonamide?
N-(3-fluoro-5-methylphenyl)piperazine-1-sulfonamide has a molecular weight of 273.33 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)piperazine-1-sulfonamide is sourced from PubChem (CID 79049509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).