2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide

C16H17N3O3S — CID 100632666

IUPAC2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide
SMILESCc1cccc(OCCN(C)S(=O)(=O)c2cccnc2C#N)c1
InChIInChI=1S/C16H17N3O3S/c1-13-5-3-6-14(11-13)22-10-9-19(2)23(20,21)16-7-4-8-18-15(16)12-17/h3-8,11H,9-10H2,1-2H3
InChIKeyZSWDDQRDUQHKBB-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.96
Rot. Bonds6

About 2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide

2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide (PubChem CID 100632666) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide
PubChem CID100632666
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide
SMILESCc1cccc(OCCN(C)S(=O)(=O)c2cccnc2C#N)c1
InChIInChI=1S/C16H17N3O3S/c1-13-5-3-6-14(11-13)22-10-9-19(2)23(20,21)16-7-4-8-18-15(16)12-17/h3-8,11H,9-10H2,1-2H3
InChIKeyZSWDDQRDUQHKBB-UHFFFAOYSA-N
XLogP1.96
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544504
2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544497
N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide
CID 106598661
2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide
CID 106546805
N-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide
CID 106545670
2-cyano-N-methoxy-N-methylpyridine-3-sulfonamide
CID 106545270
4-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]butane-1-sulfonamide
CID 116815366
2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide
CID 106545415
methyl 3-[(2-cyano-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoate
CID 106545523
3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544493
4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile
CID 26448932
2-cyano-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 106545449

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide (CID 100632666) is 2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide is Cc1cccc(OCCN(C)S(=O)(=O)c2cccnc2C#N)c1.
What is the InChIKey of 2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide?
The InChIKey is ZSWDDQRDUQHKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-13-5-3-6-14(11-13)22-10-9-19(2)23(20,21)16-7-4-8-18-15(16)12-17/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide?
2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 100632666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).