4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide

C17H21NO2S — CID 925037

IUPAC4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-4-14(2)15-10-12-17(13-11-15)21(19,20)18(3)16-8-6-5-7-9-16/h5-14H,4H2,1-3H3/t14-/m1/s1
InChIKeyIWXSGJAMCADKSZ-CQSZACIVSA-N
MW303.43 g/mol
LogP4.03
Rot. Bonds5

About 4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide

4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide (PubChem CID 925037) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide
PubChem CID925037
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-4-14(2)15-10-12-17(13-11-15)21(19,20)18(3)16-8-6-5-7-9-16/h5-14H,4H2,1-3H3/t14-/m1/s1
InChIKeyIWXSGJAMCADKSZ-CQSZACIVSA-N
XLogP4.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(N-(4-butan-2-ylphenyl)anilino)benzenesulfonic acid
CID 88869436
2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-methylamino]benzamide
CID 26950706
N-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide
CID 110827096
butan-2-ylbenzene;1,4-di(butan-2-yl)benzene;hydron;methanesulfonate
CID 162215366
N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide
CID 2566445
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
CID 141087488
N-(1-aminopropan-2-yl)-N-methyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 119583533
N-methyl-4-phenoxy-N-phenylbenzenesulfonamide
CID 802691
4-[(2R)-butan-2-yl]benzenesulfonate
CID 140600971
N-benzhydryl-4-butan-2-ylbenzenesulfonamide
CID 19681704
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
CID 43440325

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide (CID 925037) is 4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide is CC[C@@H](C)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide?
The InChIKey is IWXSGJAMCADKSZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-4-14(2)15-10-12-17(13-11-15)21(19,20)18(3)16-8-6-5-7-9-16/h5-14H,4H2,1-3H3/t14-/m1/s1.
What are the key properties of 4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide?
4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 925037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).