3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide

C17H22N4O2S — CID 110712587

IUPAC3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(c3ncccn3)CC2)cc1C
InChIInChI=1S/C17H22N4O2S/c1-13-4-5-16(12-14(13)2)24(22,23)20-15-6-10-21(11-7-15)17-18-8-3-9-19-17/h3-5,8-9,12,15,20H,6-7,10-11H2,1-2H3
InChIKeyMDCSNZKTXBNMTQ-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.04
Rot. Bonds4

About 3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide

3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide (PubChem CID 110712587) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
PubChem CID110712587
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(c3ncccn3)CC2)cc1C
InChIInChI=1S/C17H22N4O2S/c1-13-4-5-16(12-14(13)2)24(22,23)20-15-6-10-21(11-7-15)17-18-8-3-9-19-17/h3-5,8-9,12,15,20H,6-7,10-11H2,1-2H3
InChIKeyMDCSNZKTXBNMTQ-UHFFFAOYSA-N
XLogP2.04
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 23609654
3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55906495
4-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712586
N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide
CID 18141492
2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide
CID 55905713
2-methylsulfonyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55905841
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712544
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55722019
2-methyl-3-nitro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 47064853
2,4,6-trichloro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55905584
2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55906494
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 171682723

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide (CID 110712587) is 3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCN(c3ncccn3)CC2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is MDCSNZKTXBNMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-13-4-5-16(12-14(13)2)24(22,23)20-15-6-10-21(11-7-15)17-18-8-3-9-19-17/h3-5,8-9,12,15,20H,6-7,10-11H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide?
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 346.46 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 110712587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).