N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide

C16H19N5O3S — CID 90544462

IUPACN-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)Nc2cc(N3CCCCC3)ncn2)cc1
InChIInChI=1S/C16H19N5O3S/c17-25(23,24)13-6-4-12(5-7-13)16(22)20-14-10-15(19-11-18-14)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H2,17,23,24)(H,18,19,20,22)
InChIKeyBTOHRQHFDQPIHS-UHFFFAOYSA-N
MW361.43 g/mol
LogP1.37
Rot. Bonds4

About N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide

N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide (PubChem CID 90544462) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
PubChem CID90544462
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC NameN-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)Nc2cc(N3CCCCC3)ncn2)cc1
InChIInChI=1S/C16H19N5O3S/c17-25(23,24)13-6-4-12(5-7-13)16(22)20-14-10-15(19-11-18-14)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H2,17,23,24)(H,18,19,20,22)
InChIKeyBTOHRQHFDQPIHS-UHFFFAOYSA-N
XLogP1.37
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-morpholin-4-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
CID 90544119
4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544651
N-(6-piperidin-1-yl-3-pyridinyl)-4-sulfamoylbenzamide
CID 55502246
4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 112856046
N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide
CID 90545034
N-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 90544561
4-(dimethylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543760
3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544619
3-nitro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544457
N-(6-piperidin-1-ylpyrimidin-4-yl)pyrimidine-2-carboxamide
CID 90544711
N-(4-piperidin-1-ylphenyl)-4-sulfamoylbenzamide
CID 26654878
N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 90544511

Frequently Asked Questions

What is the IUPAC name of N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide?
The IUPAC name of N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide (CID 90544462) is N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide.
What is the SMILES notation for N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide?
The canonical SMILES for N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)Nc2cc(N3CCCCC3)ncn2)cc1.
What is the InChIKey of N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide?
The InChIKey is BTOHRQHFDQPIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c17-25(23,24)13-6-4-12(5-7-13)16(22)20-14-10-15(19-11-18-14)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H2,17,23,24)(H,18,19,20,22).
What are the key properties of N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide?
N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide has a molecular weight of 361.43 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide is sourced from PubChem (CID 90544462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).