2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide

C16H16N2O3S — CID 110756477

IUPAC2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
SMILESCC(C)Oc1ccccc1NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C16H16N2O3S/c1-12(2)21-15-9-5-4-8-14(15)18-22(19,20)16-10-6-3-7-13(16)11-17/h3-10,12,18H,1-2H3
InChIKeyRTZOUKLCPNOGCI-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.15
Rot. Bonds5

About 2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide

2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide (PubChem CID 110756477) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
PubChem CID110756477
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
SMILESCC(C)Oc1ccccc1NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C16H16N2O3S/c1-12(2)21-15-9-5-4-8-14(15)18-22(19,20)16-10-6-3-7-13(16)11-17/h3-10,12,18H,1-2H3
InChIKeyRTZOUKLCPNOGCI-UHFFFAOYSA-N
XLogP3.15
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 62998202
2-cyano-N-(2-phenoxyphenyl)benzenesulfonamide
CID 26980043
2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide
CID 110777916
N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide
CID 61061898
2-cyano-N-(2-phenylphenyl)benzenesulfonamide
CID 26979564
4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53277912
5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61274811
2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide
CID 110776899
5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53288956
5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56795843
2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2579215
N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 26969917

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide (CID 110756477) is 2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide is CC(C)Oc1ccccc1NS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide?
The InChIKey is RTZOUKLCPNOGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-12(2)21-15-9-5-4-8-14(15)18-22(19,20)16-10-6-3-7-13(16)11-17/h3-10,12,18H,1-2H3.
What are the key properties of 2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide?
2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide is sourced from PubChem (CID 110756477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).