3-chloro-4-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide

C18H22ClN3O2S — CID 91624841

IUPAC3-chloro-4-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCN(c3cccnc3)CC2)cc1Cl
InChIInChI=1S/C18H22ClN3O2S/c1-14-4-5-17(11-18(14)19)25(23,24)21-12-15-6-9-22(10-7-15)16-3-2-8-20-13-16/h2-5,8,11,13,15,21H,6-7,9-10,12H2,1H3
InChIKeyPOJILDFSZODKBO-UHFFFAOYSA-N
MW379.91 g/mol
LogP3.24
Rot. Bonds5

About 3-chloro-4-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide

3-chloro-4-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 91624841) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID91624841
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name3-chloro-4-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCN(c3cccnc3)CC2)cc1Cl
InChIInChI=1S/C18H22ClN3O2S/c1-14-4-5-17(11-18(14)19)25(23,24)21-12-15-6-9-22(10-7-15)16-3-2-8-20-13-16/h2-5,8,11,13,15,21H,6-7,9-10,12H2,1H3
InChIKeyPOJILDFSZODKBO-UHFFFAOYSA-N
XLogP3.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 91624838
2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 91624844
3,4-dimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887941
1-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide
CID 91624852
3-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 86263506
4-methoxy-3-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzenesulfonamide
CID 90521254
4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108130
4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108282
N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 47331342
3,4-difluoro-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521160
3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 112506418
3-chloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887439

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 91624841) is 3-chloro-4-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2CCN(c3cccnc3)CC2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is POJILDFSZODKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2S/c1-14-4-5-17(11-18(14)19)25(23,24)21-12-15-6-9-22(10-7-15)16-3-2-8-20-13-16/h2-5,8,11,13,15,21H,6-7,9-10,12H2,1H3.
What are the key properties of 3-chloro-4-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide?
3-chloro-4-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 379.91 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 91624841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).