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

C14H20FN3O3S — CID 120726743

IUPACN-[2-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)NC2CCCNC2C)ccc1F
InChIInChI=1S/C14H20FN3O3S/c1-9-13(4-3-7-16-9)18-22(20,21)11-5-6-12(15)14(8-11)17-10(2)19/h5-6,8-9,13,16,18H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyHJDNQNNNXXQFAB-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.20
Rot. Bonds4

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

N-[2-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 120726743) has the molecular formula C14H20FN3O3S and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID120726743
Molecular FormulaC14H20FN3O3S
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC NameN-[2-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)NC2CCCNC2C)ccc1F
InChIInChI=1S/C14H20FN3O3S/c1-9-13(4-3-7-16-9)18-22(20,21)11-5-6-12(15)14(8-11)17-10(2)19/h5-6,8-9,13,16,18H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyHJDNQNNNXXQFAB-UHFFFAOYSA-N
XLogP1.20
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-bromo-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 120726813
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
N-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
CID 120726547
4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 120726654
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726470
4-fluoro-N-(2-methylpiperidin-3-yl)-3-nitrobenzenesulfonamide
CID 114695261
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide
CID 119967297
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120726129
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide (CID 120726743) is N-[2-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1cc(S(=O)(=O)NC2CCCNC2C)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is HJDNQNNNXXQFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3S/c1-9-13(4-3-7-16-9)18-22(20,21)11-5-6-12(15)14(8-11)17-10(2)19/h5-6,8-9,13,16,18H,3-4,7H2,1-2H3,(H,17,19).
What are the key properties of N-[2-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide?
N-[2-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 120726743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).