3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide

C17H20ClN3O2S — CID 68842273

IUPAC3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccc(N2CCCCC2)cn1
InChIInChI=1S/C17H20ClN3O2S/c1-13-15(18)6-5-7-16(13)24(22,23)20-17-9-8-14(12-19-17)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11H2,1H3,(H,19,20)
InChIKeyRJRDAFNTWXKUHW-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.83
Rot. Bonds4

About 3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide

3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide (PubChem CID 68842273) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
PubChem CID68842273
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccc(N2CCCCC2)cn1
InChIInChI=1S/C17H20ClN3O2S/c1-13-15(18)6-5-7-16(13)24(22,23)20-17-9-8-14(12-19-17)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11H2,1H3,(H,19,20)
InChIKeyRJRDAFNTWXKUHW-UHFFFAOYSA-N
XLogP3.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(azepan-1-yl)-2-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113031119
3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024384
N-[5-(azepan-1-yl)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113031113
N-[5-(azepan-1-yl)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113031108
2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025926
4-methoxy-2,5-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024403
N-[5-(azepan-1-yl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113031132
4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024649
2-(dimethylsulfamoylamino)-5-pyrrolidin-1-ylpyridine
CID 113024377
5-ethyl-N-(5-piperidin-1-yl-2-pyridinyl)thiophene-2-sulfonamide
CID 113024663
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 113026031
2,3-dichloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 9330124

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide (CID 68842273) is 3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(N2CCCCC2)cn1.
What is the InChIKey of 3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide?
The InChIKey is RJRDAFNTWXKUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-13-15(18)6-5-7-16(13)24(22,23)20-17-9-8-14(12-19-17)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11H2,1H3,(H,19,20).
What are the key properties of 3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide?
3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide has a molecular weight of 365.89 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 68842273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).