3-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide

C17H21ClN4O2S — CID 122318154

IUPAC3-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(N2CCCCC2)nc(CNS(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C17H21ClN4O2S/c1-13-10-17(22-8-3-2-4-9-22)21-16(20-13)12-19-25(23,24)15-7-5-6-14(18)11-15/h5-7,10-11,19H,2-4,8-9,12H2,1H3
InChIKeyGIENHNXBNCXHCV-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.91
Rot. Bonds5

About 3-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide

3-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide (PubChem CID 122318154) has the molecular formula C17H21ClN4O2S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
PubChem CID122318154
Molecular FormulaC17H21ClN4O2S
Molecular Weight380.90 g/mol
Exact Mass380.11
IUPAC Name3-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(N2CCCCC2)nc(CNS(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C17H21ClN4O2S/c1-13-10-17(22-8-3-2-4-9-22)21-16(20-13)12-19-25(23,24)15-7-5-6-14(18)11-15/h5-7,10-11,19H,2-4,8-9,12H2,1H3
InChIKeyGIENHNXBNCXHCV-UHFFFAOYSA-N
XLogP2.91
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318010
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-3-nitrobenzenesulfonamide
CID 122318438
2-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318153
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-3-nitrobenzenesulfonamide
CID 122318036
4-methoxy-3-methyl-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318146
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122317958
3-chloro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352331
3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253191
4-ethoxy-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 71807436
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 122317983
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
CID 71807412
3-chloro-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide
CID 90492461

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide (CID 122318154) is 3-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide is Cc1cc(N2CCCCC2)nc(CNS(=O)(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The InChIKey is GIENHNXBNCXHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2S/c1-13-10-17(22-8-3-2-4-9-22)21-16(20-13)12-19-25(23,24)15-7-5-6-14(18)11-15/h5-7,10-11,19H,2-4,8-9,12H2,1H3.
What are the key properties of 3-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
3-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide has a molecular weight of 380.90 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122318154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).