4-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzenesulfonamide

C17H20N4O3S — CID 77087134

IUPAC4-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCc1nccc(C2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)n1
InChIInChI=1S/C17H20N4O3S/c1-12-19-9-6-16(20-12)13-7-10-21(11-8-13)17(22)14-2-4-15(5-3-14)25(18,23)24/h2-6,9,13H,7-8,10-11H2,1H3,(H2,18,23,24)
InChIKeyWFDLEBCVYOCLRK-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.45
Rot. Bonds3

About 4-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzenesulfonamide

4-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 77087134) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID77087134
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name4-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCc1nccc(C2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)n1
InChIInChI=1S/C17H20N4O3S/c1-12-19-9-6-16(20-12)13-7-10-21(11-8-13)17(22)14-2-4-15(5-3-14)25(18,23)24/h2-6,9,13H,7-8,10-11H2,1H3,(H2,18,23,24)
InChIKeyWFDLEBCVYOCLRK-UHFFFAOYSA-N
XLogP1.45
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzenesulfonamide 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

[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 95828534
6-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 118783804
[4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95824132
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 43981442
cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 95730626
2-(azocan-1-yl)-1-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 90650761
4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]benzoic acid
CID 74231502
[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124968705
2H-benzotriazol-5-yl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110115037
4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide
CID 146048142
4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 112698154
4-(2-methylpyrimidin-4-yl)cyclohexan-1-ol
CID 139330455

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzenesulfonamide (CID 77087134) is 4-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzenesulfonamide is Cc1nccc(C2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)n1.
What is the InChIKey of 4-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is WFDLEBCVYOCLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-12-19-9-6-16(20-12)13-7-10-21(11-8-13)17(22)14-2-4-15(5-3-14)25(18,23)24/h2-6,9,13H,7-8,10-11H2,1H3,(H2,18,23,24).
What are the key properties of 4-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzenesulfonamide?
4-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 77087134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).