4-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide

C16H19NO2S — CID 131866517

IUPAC4-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1cc(-c2ccc(S(N)(=O)=O)cc2)ccc1C(C)C
InChIInChI=1S/C16H19NO2S/c1-11(2)16-9-6-14(10-12(16)3)13-4-7-15(8-5-13)20(17,18)19/h4-11H,1-3H3,(H2,17,18,19)
InChIKeyMWWNSEQQIDCHFK-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.43
Rot. Bonds3

About 4-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide

4-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 131866517) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide
PubChem CID131866517
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name4-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1cc(-c2ccc(S(N)(=O)=O)cc2)ccc1C(C)C
InChIInChI=1S/C16H19NO2S/c1-11(2)16-9-6-14(10-12(16)3)13-4-7-15(8-5-13)20(17,18)19/h4-11H,1-3H3,(H2,17,18,19)
InChIKeyMWWNSEQQIDCHFK-UHFFFAOYSA-N
XLogP3.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(4-methylbenzenesulfonamide);selane
CID 173300479
N,3-dimethyl-4-propan-2-ylbenzenesulfonamide
CID 70996925
2-iodo-1-methyl-4-(3-methyl-4-propan-2-ylphenyl)benzene
CID 155049009
methane;4-methylbenzenesulfonamide
CID 66673954
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
4-[5-(2-propan-2-yl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 78325069
4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen
CID 143550449
4-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 110453851
4-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 126754935
4-(3-bromo-4-methoxyphenyl)benzenesulfonamide
CID 57313510
1-(2-methyl-4-methylsulfonylphenyl)ethanamine
CID 117304474
3-(3-methyl-4-propan-2-ylphenyl)benzonitrile
CID 156559237

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide (CID 131866517) is 4-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide is Cc1cc(-c2ccc(S(N)(=O)=O)cc2)ccc1C(C)C.
What is the InChIKey of 4-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is MWWNSEQQIDCHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-11(2)16-9-6-14(10-12(16)3)13-4-7-15(8-5-13)20(17,18)19/h4-11H,1-3H3,(H2,17,18,19).
What are the key properties of 4-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide?
4-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 131866517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).