4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide

C15H20N2O3S — CID 103990968

IUPAC4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)NCCC1CCCCO1
InChIInChI=1S/C15H20N2O3S/c1-12-10-13(11-16)5-6-15(12)21(18,19)17-8-7-14-4-2-3-9-20-14/h5-6,10,14,17H,2-4,7-9H2,1H3
InChIKeyJJZGBSVTFIGSED-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.10
Rot. Bonds5

About 4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide

4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide (PubChem CID 103990968) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
PubChem CID103990968
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)NCCC1CCCCO1
InChIInChI=1S/C15H20N2O3S/c1-12-10-13(11-16)5-6-15(12)21(18,19)17-8-7-14-4-2-3-9-20-14/h5-6,10,14,17H,2-4,7-9H2,1H3
InChIKeyJJZGBSVTFIGSED-UHFFFAOYSA-N
XLogP2.10
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61127442
4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 60723752
2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990940
4-cyano-N-(2-iodoethyl)-2-methylbenzenesulfonamide
CID 106442162
N-(2-bromoethyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998772
4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 106999010
N-(3-chloropropyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998775
2-methyl-5-nitro-N-[2-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide
CID 31811302
4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990999
4-cyano-N-(4-hydroxybutyl)-2-methylbenzenesulfonamide
CID 106997450
4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014134
4-methyl-3-[3-(oxolan-2-yl)propylamino]benzonitrile
CID 65163795

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide (CID 103990968) is 4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide is Cc1cc(C#N)ccc1S(=O)(=O)NCCC1CCCCO1.
What is the InChIKey of 4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is JJZGBSVTFIGSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-12-10-13(11-16)5-6-15(12)21(18,19)17-8-7-14-4-2-3-9-20-14/h5-6,10,14,17H,2-4,7-9H2,1H3.
What are the key properties of 4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 103990968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).