4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide

C16H20N4O2S — CID 23609654

IUPAC4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C16H20N4O2S/c1-13-3-5-15(6-4-13)23(21,22)19-14-7-11-20(12-8-14)16-17-9-2-10-18-16/h2-6,9-10,14,19H,7-8,11-12H2,1H3
InChIKeyKGWZHGVBPWZMKA-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.73
Rot. Bonds4

About 4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide

4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide (PubChem CID 23609654) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
PubChem CID23609654
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C16H20N4O2S/c1-13-3-5-15(6-4-13)23(21,22)19-14-7-11-20(12-8-14)16-17-9-2-10-18-16/h2-6,9-10,14,19H,7-8,11-12H2,1H3
InChIKeyKGWZHGVBPWZMKA-UHFFFAOYSA-N
XLogP1.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712586
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712587
3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55906495
2-methylsulfonyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55905841
N-cyclopropyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 30690904
2-methyl-3-nitro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 47064853
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
CID 22772651
2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide
CID 55905713
2,4,6-trichloro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55905584
4-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597570
2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55906494
N-[1-(cyanomethyl)piperidin-4-yl]-4-methylbenzenesulfonamide
CID 63625036

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide (CID 23609654) is 4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is KGWZHGVBPWZMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-13-3-5-15(6-4-13)23(21,22)19-14-7-11-20(12-8-14)16-17-9-2-10-18-16/h2-6,9-10,14,19H,7-8,11-12H2,1H3.
What are the key properties of 4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide?
4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 23609654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).