N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide

C17H21NO2S — CID 58646057

IUPACN-(4-tert-butylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H21NO2S/c1-13-7-5-6-8-16(13)21(19,20)18-15-11-9-14(10-12-15)17(2,3)4/h5-12,18H,1-4H3
InChIKeyZFOYVRYMRXPZPM-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.09
Rot. Bonds3

About N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide

N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide (PubChem CID 58646057) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-methylbenzenesulfonamide
PubChem CID58646057
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-(4-tert-butylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H21NO2S/c1-13-7-5-6-8-16(13)21(19,20)18-15-11-9-14(10-12-15)17(2,3)4/h5-12,18H,1-4H3
InChIKeyZFOYVRYMRXPZPM-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-phenylbenzenesulfonamide
CID 3017048
N-(4-tert-butylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 55532477
2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide
CID 3263186
2-methyl-N-(4-propylphenyl)benzenesulfonamide
CID 62999654
2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 990525
sodium 4-[(2-methylphenyl)sulfonylamino]benzoate
CID 23687871
N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide
CID 112988408
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080
N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide
CID 39375386
N-(2,3-dimethylquinoxalin-6-yl)-2-methylbenzenesulfonamide
CID 110723878
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide
CID 110352354
N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 66545246

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide (CID 58646057) is N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is ZFOYVRYMRXPZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-13-7-5-6-8-16(13)21(19,20)18-15-11-9-14(10-12-15)17(2,3)4/h5-12,18H,1-4H3.
What are the key properties of N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide?
N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 58646057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).