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

C18H23N3O2S — CID 121108130

IUPAC4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C18H23N3O2S/c1-15-2-4-18(5-3-15)24(22,23)20-14-16-8-12-21(13-9-16)17-6-10-19-11-7-17/h2-7,10-11,16,20H,8-9,12-14H2,1H3
InChIKeyVRUWWGHXSWLGSJ-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.58
Rot. Bonds5

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

4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 121108130) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID121108130
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C18H23N3O2S/c1-15-2-4-18(5-3-15)24(22,23)20-14-16-8-12-21(13-9-16)17-6-10-19-11-7-17/h2-7,10-11,16,20H,8-9,12-14H2,1H3
InChIKeyVRUWWGHXSWLGSJ-UHFFFAOYSA-N
XLogP2.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Torasemide
CID 41781
Benzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1)
CID 466102
N-(pyridin-4-yl)benzenesulfonamide
CID 669138
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
1-N-(4-Sulfamoylphenyl-ethyl)-2,4,6-trimethylpyridinium
CID 5289159
3-(((4-Methylphenyl)sulfonyl)amino)propyl pyridin-4-ylcarbamate
CID 3236724
BM-960102
CID 819349
1-[4-(Piperidin-1-Ylsulfonyl)phenyl]-3-(Pyridin-3-Ylmethyl)thiourea
CID 2803102
4-Pyridin-3-ylbenzenesulfonamide
CID 110453853
4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 24884859
N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethyl)cyclohexyl)pyridine-3-sulfonamide
CID 44435100

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 121108130) is 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is VRUWWGHXSWLGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-15-2-4-18(5-3-15)24(22,23)20-14-16-8-12-21(13-9-16)17-6-10-19-11-7-17/h2-7,10-11,16,20H,8-9,12-14H2,1H3.
What are the key properties of 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide?
4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 345.47 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 121108130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).