N-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide

C14H19ClFN3O3S — CID 120726547

IUPACN-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(F)c(S(=O)(=O)NC2CCCNC2C)cc1Cl
InChIInChI=1S/C14H19ClFN3O3S/c1-8-12(4-3-5-17-8)19-23(21,22)14-6-10(15)13(7-11(14)16)18-9(2)20/h6-8,12,17,19H,3-5H2,1-2H3,(H,18,20)
InChIKeyQEDFBIPYIYWPTQ-UHFFFAOYSA-N
MW363.84 g/mol
LogP1.86
Rot. Bonds4

About N-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide

N-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 120726547) has the molecular formula C14H19ClFN3O3S and a molecular weight of 363.84 g/mol. Its IUPAC name is N-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID120726547
Molecular FormulaC14H19ClFN3O3S
Molecular Weight363.84 g/mol
Exact Mass363.08
IUPAC NameN-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(F)c(S(=O)(=O)NC2CCCNC2C)cc1Cl
InChIInChI=1S/C14H19ClFN3O3S/c1-8-12(4-3-5-17-8)19-23(21,22)14-6-10(15)13(7-11(14)16)18-9(2)20/h6-8,12,17,19H,3-5H2,1-2H3,(H,18,20)
InChIKeyQEDFBIPYIYWPTQ-UHFFFAOYSA-N
XLogP1.86
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
CID 120726743
N-[2-bromo-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 120726813
2-bromo-6-chloro-4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726722
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695279
2-[4-chloro-2-[(2-methylpiperidin-3-yl)sulfamoyl]phenoxy]acetamide
CID 120726795
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
N-[5-[(2-methylpiperidin-3-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 114695273
4-chloro-N-(2-methylpiperidin-3-yl)-2-nitrobenzenesulfonamide;hydrochloride
CID 120726614
2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695307
2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515702
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide (CID 120726547) is N-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1cc(F)c(S(=O)(=O)NC2CCCNC2C)cc1Cl.
What is the InChIKey of N-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is QEDFBIPYIYWPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3O3S/c1-8-12(4-3-5-17-8)19-23(21,22)14-6-10(15)13(7-11(14)16)18-9(2)20/h6-8,12,17,19H,3-5H2,1-2H3,(H,18,20).
What are the key properties of N-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide?
N-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 363.84 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 120726547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).