N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide

C13H21NO2S — CID 11637441

IUPACN-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C)C(C)(C)C)cc1
InChIInChI=1S/C13H21NO2S/c1-10-6-8-12(9-7-10)17(15,16)14-11(2)13(3,4)5/h6-9,11,14H,1-5H3/t11-/m1/s1
InChIKeySCMZEUXTSUQPPF-LLVKDONJSA-N
MW255.38 g/mol
LogP2.71
Rot. Bonds3

About N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide

N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 11637441) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
PubChem CID11637441
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C)C(C)(C)C)cc1
InChIInChI=1S/C13H21NO2S/c1-10-6-8-12(9-7-10)17(15,16)14-11(2)13(3,4)5/h6-9,11,14H,1-5H3/t11-/m1/s1
InChIKeySCMZEUXTSUQPPF-LLVKDONJSA-N
XLogP2.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,3-dimethylbutan-2-ylsulfamoyl)benzoic acid
CID 104827566
2-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115622947
4-methyl-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 102415815
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 24786515
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25042571
4-methyl-N-[(2S)-1-oxopropan-2-yl]benzenesulfonamide
CID 18606138
(2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40563910
6-amino-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 104827316
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide
CID 106357500
4-methyl-N'-propan-2-ylbenzenesulfonohydrazide
CID 14470803
2-[4-(3,3-dimethylbutan-2-ylsulfamoyl)phenoxy]acetic acid
CID 104827593

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide (CID 11637441) is N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](C)C(C)(C)C)cc1.
What is the InChIKey of N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is SCMZEUXTSUQPPF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-10-6-8-12(9-7-10)17(15,16)14-11(2)13(3,4)5/h6-9,11,14H,1-5H3/t11-/m1/s1.
What are the key properties of N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide?
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11637441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).