2-chloro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

C18H22ClN3O2S — CID 16887922

IUPAC2-chloro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2cccnc2)CC1)c1ccccc1Cl
InChIInChI=1S/C18H22ClN3O2S/c19-17-5-1-2-6-18(17)25(23,24)21-13-15-7-10-22(11-8-15)14-16-4-3-9-20-12-16/h1-6,9,12,15,21H,7-8,10-11,13-14H2
InChIKeyMPNXQPUEHUYLTL-UHFFFAOYSA-N
MW379.91 g/mol
LogP2.93
Rot. Bonds6

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

2-chloro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 16887922) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is 2-chloro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID16887922
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name2-chloro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2cccnc2)CC1)c1ccccc1Cl
InChIInChI=1S/C18H22ClN3O2S/c19-17-5-1-2-6-18(17)25(23,24)21-13-15-7-10-22(11-8-15)14-16-4-3-9-20-12-16/h1-6,9,12,15,21H,7-8,10-11,13-14H2
InChIKeyMPNXQPUEHUYLTL-UHFFFAOYSA-N
XLogP2.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887983
3,4-dimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887941
2-nitro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888004
2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593458
N-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide
CID 16887771
2-chloro-N-(oxolan-2-ylmethyl)-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55513446
3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide
CID 16895855
methyl 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]sulfonylbenzoate
CID 24731908
5-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895864
2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813135
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380
2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640667

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 16887922) is 2-chloro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is O=S(=O)(NCC1CCN(Cc2cccnc2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is MPNXQPUEHUYLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2S/c19-17-5-1-2-6-18(17)25(23,24)21-13-15-7-10-22(11-8-15)14-16-4-3-9-20-12-16/h1-6,9,12,15,21H,7-8,10-11,13-14H2.
What are the key properties of 2-chloro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
2-chloro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 379.91 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16887922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).