N-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide

C15H25NO3S — CID 42065813

IUPACN-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C15H25NO3S/c1-7-11(2)16-20(17,18)14-10-12(15(3,4)5)8-9-13(14)19-6/h8-11,16H,7H2,1-6H3/t11-/m1/s1
InChIKeyAHZIIJIKEVUOGC-LLVKDONJSA-N
MW299.44 g/mol
LogP3.07
Rot. Bonds5

About N-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide

N-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide (PubChem CID 42065813) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide
PubChem CID42065813
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C15H25NO3S/c1-7-11(2)16-20(17,18)14-10-12(15(3,4)5)8-9-13(14)19-6/h8-11,16H,7H2,1-6H3/t11-/m1/s1
InChIKeyAHZIIJIKEVUOGC-LLVKDONJSA-N
XLogP3.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid
CID 9160552
3-(1-hydroxypropan-2-ylsulfamoyl)-4-methoxybenzoic acid
CID 43499107
3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-4-methoxybenzoic acid
CID 107215557
N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
CID 39845386
2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2954841
N-butan-2-yl-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036300
5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510421
5-amino-4-bromo-N-butan-2-yl-2-methoxybenzenesulfonamide
CID 81414235
2-methoxy-N-(1-methoxypropan-2-yl)-5-methylbenzenesulfonamide
CID 6461003
N-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102704456
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide
CID 8777904

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide?
The IUPAC name of N-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide (CID 42065813) is N-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide is CC[C@@H](C)NS(=O)(=O)c1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of N-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide?
The InChIKey is AHZIIJIKEVUOGC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-7-11(2)16-20(17,18)14-10-12(15(3,4)5)8-9-13(14)19-6/h8-11,16H,7H2,1-6H3/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide?
N-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 42065813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).