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

C16H19NO3S — CID 62998202

IUPAC2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C16H19NO3S/c1-12(2)20-15-10-6-5-9-14(15)17-21(18,19)16-11-7-4-8-13(16)3/h4-12,17H,1-3H3
InChIKeyCLGIPQBSFWPFBT-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.58
Rot. Bonds5

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

2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide (PubChem CID 62998202) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
PubChem CID62998202
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C16H19NO3S/c1-12(2)20-15-10-6-5-9-14(15)17-21(18,19)16-11-7-4-8-13(16)3/h4-12,17H,1-3H3
InChIKeyCLGIPQBSFWPFBT-UHFFFAOYSA-N
XLogP3.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 110756477
5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61274811
4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53277912
5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53288956
N-[2-(methanesulfonamido)phenyl]-2-methylbenzenesulfonamide
CID 113093452
5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide
CID 7940917
N-[2-[(2-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093732
N-[2-(dimethylamino)phenyl]-2-methylbenzenesulfonamide
CID 63903277
5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56795843
N-(4-methoxy-2-methylphenyl)-2-methylbenzenesulfonamide
CID 62997670
4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide
CID 22206102
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55945307

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide (CID 62998202) is 2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of 2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide?
The InChIKey is CLGIPQBSFWPFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12(2)20-15-10-6-5-9-14(15)17-21(18,19)16-11-7-4-8-13(16)3/h4-12,17H,1-3H3.
What are the key properties of 2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide?
2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide is sourced from PubChem (CID 62998202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).