3-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-chlorobenzamide

C14H20ClN3O3S — CID 120778896

IUPAC3-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-chlorobenzamide
SMILESCC1(C)CN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CCC1N
InChIInChI=1S/C14H20ClN3O3S/c1-14(2)8-18(4-3-12(14)16)22(20,21)11-6-9(13(17)19)5-10(15)7-11/h5-7,12H,3-4,8,16H2,1-2H3,(H2,17,19)
InChIKeyYAHDGJLPQUISNB-UHFFFAOYSA-N
MW345.85 g/mol
LogP1.19
Rot. Bonds3

About 3-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-chlorobenzamide

3-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-chlorobenzamide (PubChem CID 120778896) has the molecular formula C14H20ClN3O3S and a molecular weight of 345.85 g/mol. Its IUPAC name is 3-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-chlorobenzamide.

Molecular Properties

Compound Name3-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-chlorobenzamide
PubChem CID120778896
Molecular FormulaC14H20ClN3O3S
Molecular Weight345.85 g/mol
Exact Mass345.09
IUPAC Name3-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-chlorobenzamide
SMILESCC1(C)CN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CCC1N
InChIInChI=1S/C14H20ClN3O3S/c1-14(2)8-18(4-3-12(14)16)22(20,21)11-6-9(13(17)19)5-10(15)7-11/h5-7,12H,3-4,8,16H2,1-2H3,(H2,17,19)
InChIKeyYAHDGJLPQUISNB-UHFFFAOYSA-N
XLogP1.19
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-chlorobenzamide?
The IUPAC name of 3-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-chlorobenzamide (CID 120778896) is 3-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-chlorobenzamide.
What is the SMILES notation for 3-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-chlorobenzamide?
The canonical SMILES for 3-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-chlorobenzamide is CC1(C)CN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CCC1N.
What is the InChIKey of 3-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-chlorobenzamide?
The InChIKey is YAHDGJLPQUISNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3S/c1-14(2)8-18(4-3-12(14)16)22(20,21)11-6-9(13(17)19)5-10(15)7-11/h5-7,12H,3-4,8,16H2,1-2H3,(H2,17,19).
What are the key properties of 3-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-chlorobenzamide?
3-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-chlorobenzamide has a molecular weight of 345.85 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-chlorobenzamide is sourced from PubChem (CID 120778896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).