1-(3-chlorobenzoyl)-4-(dimethylsulfamoylamino)piperidine

C14H20ClN3O3S — CID 110821024

IUPAC1-(3-chlorobenzoyl)-4-(dimethylsulfamoylamino)piperidine
SMILESCN(C)S(=O)(=O)NC1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H20ClN3O3S/c1-17(2)22(20,21)16-13-6-8-18(9-7-13)14(19)11-4-3-5-12(15)10-11/h3-5,10,13,16H,6-9H2,1-2H3
InChIKeyNCPDDZFUGGEQEW-UHFFFAOYSA-N
MW345.85 g/mol
LogP1.34
Rot. Bonds4

About 1-(3-chlorobenzoyl)-4-(dimethylsulfamoylamino)piperidine

1-(3-chlorobenzoyl)-4-(dimethylsulfamoylamino)piperidine (PubChem CID 110821024) has the molecular formula C14H20ClN3O3S and a molecular weight of 345.85 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-4-(dimethylsulfamoylamino)piperidine.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-4-(dimethylsulfamoylamino)piperidine
PubChem CID110821024
Molecular FormulaC14H20ClN3O3S
Molecular Weight345.85 g/mol
Exact Mass345.09
IUPAC Name1-(3-chlorobenzoyl)-4-(dimethylsulfamoylamino)piperidine
SMILESCN(C)S(=O)(=O)NC1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H20ClN3O3S/c1-17(2)22(20,21)16-13-6-8-18(9-7-13)14(19)11-4-3-5-12(15)10-11/h3-5,10,13,16H,6-9H2,1-2H3
InChIKeyNCPDDZFUGGEQEW-UHFFFAOYSA-N
XLogP1.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline
CID 108565713
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108564145
N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110821021
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821022
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide
CID 91916201
1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 113003453
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564146
[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 106839026
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide
CID 108550695

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-4-(dimethylsulfamoylamino)piperidine?
The IUPAC name of 1-(3-chlorobenzoyl)-4-(dimethylsulfamoylamino)piperidine (CID 110821024) is 1-(3-chlorobenzoyl)-4-(dimethylsulfamoylamino)piperidine.
What is the SMILES notation for 1-(3-chlorobenzoyl)-4-(dimethylsulfamoylamino)piperidine?
The canonical SMILES for 1-(3-chlorobenzoyl)-4-(dimethylsulfamoylamino)piperidine is CN(C)S(=O)(=O)NC1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorobenzoyl)-4-(dimethylsulfamoylamino)piperidine?
The InChIKey is NCPDDZFUGGEQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3S/c1-17(2)22(20,21)16-13-6-8-18(9-7-13)14(19)11-4-3-5-12(15)10-11/h3-5,10,13,16H,6-9H2,1-2H3.
What are the key properties of 1-(3-chlorobenzoyl)-4-(dimethylsulfamoylamino)piperidine?
1-(3-chlorobenzoyl)-4-(dimethylsulfamoylamino)piperidine has a molecular weight of 345.85 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)-4-(dimethylsulfamoylamino)piperidine is sourced from PubChem (CID 110821024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).