N,N-dibenzyl-2-methoxypyridine-3-sulfonamide

C20H20N2O3S — CID 162647773

IUPACN,N-dibenzyl-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H20N2O3S/c1-25-20-19(13-8-14-21-20)26(23,24)22(15-17-9-4-2-5-10-17)16-18-11-6-3-7-12-18/h2-14H,15-16H2,1H3
InChIKeyCBZDJZRLAVPUKS-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.48
Rot. Bonds7

About N,N-dibenzyl-2-methoxypyridine-3-sulfonamide

N,N-dibenzyl-2-methoxypyridine-3-sulfonamide (PubChem CID 162647773) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N,N-dibenzyl-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-methoxypyridine-3-sulfonamide
PubChem CID162647773
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN,N-dibenzyl-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H20N2O3S/c1-25-20-19(13-8-14-21-20)26(23,24)22(15-17-9-4-2-5-10-17)16-18-11-6-3-7-12-18/h2-14H,15-16H2,1H3
InChIKeyCBZDJZRLAVPUKS-UHFFFAOYSA-N
XLogP3.48
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide
CID 139597581
N-((4-Methoxyphenyl)sulfonyl)-N-(2-((1E)-2-(1-oxido-4-pyridinyl)ethenyl)phenyl)acetamide
CID 9888590
4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
1-[(4-Methoxyphenyl)sulfonyl]-4-(3-pyridylmethyl)piperazine
CID 828758
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 676047
2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 18539798
Pyroxsulam N-cyan-sulfonamide
CID 139597290
N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide
CID 155534269
5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide
CID 156600271
4-[5-[(4-Methoxyphenyl)selanylmethyl]-1,3-selenazol-2-yl]benzenesulfonamide
CID 145987408
4-[5-[(4-Methoxyphenyl)tellanylmethyl]-1,3-selenazol-2-yl]benzenesulfonamide
CID 145987996

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-methoxypyridine-3-sulfonamide?
The IUPAC name of N,N-dibenzyl-2-methoxypyridine-3-sulfonamide (CID 162647773) is N,N-dibenzyl-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for N,N-dibenzyl-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for N,N-dibenzyl-2-methoxypyridine-3-sulfonamide is COc1ncccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-methoxypyridine-3-sulfonamide?
The InChIKey is CBZDJZRLAVPUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-25-20-19(13-8-14-21-20)26(23,24)22(15-17-9-4-2-5-10-17)16-18-11-6-3-7-12-18/h2-14H,15-16H2,1H3.
What are the key properties of N,N-dibenzyl-2-methoxypyridine-3-sulfonamide?
N,N-dibenzyl-2-methoxypyridine-3-sulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 162647773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).