5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide

C18H24N2O4S2 — CID 8519720

IUPAC5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)cc1
InChIInChI=1S/C18H24N2O4S2/c1-5-13(2)15-7-10-17(11-8-15)25(21,22)20-16-9-6-14(3)18(12-16)26(23,24)19-4/h6-13,19-20H,5H2,1-4H3/t13-/m1/s1
InChIKeyCMVHVOSIXRJUAX-CYBMUJFWSA-N
MW396.53 g/mol
LogP3.22
Rot. Bonds7

About 5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide

5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide (PubChem CID 8519720) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide
PubChem CID8519720
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC Name5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)cc1
InChIInChI=1S/C18H24N2O4S2/c1-5-13(2)15-7-10-17(11-8-15)25(21,22)20-16-9-6-14(3)18(12-16)26(23,24)19-4/h6-13,19-20H,5H2,1-4H3/t13-/m1/s1
InChIKeyCMVHVOSIXRJUAX-CYBMUJFWSA-N
XLogP3.22
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 17388091
5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519772
4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 22774481
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
4-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzene-1,4-disulfonamide
CID 18286970
N-[4-[(2S)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697049
N-[4-[(2R)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697047
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 26012625
4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 22202165
4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 2524649
5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519759

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide (CID 8519720) is 5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide is CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)cc1.
What is the InChIKey of 5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide?
The InChIKey is CMVHVOSIXRJUAX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-5-13(2)15-7-10-17(11-8-15)25(21,22)20-16-9-6-14(3)18(12-16)26(23,24)19-4/h6-13,19-20H,5H2,1-4H3/t13-/m1/s1.
What are the key properties of 5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide?
5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide has a molecular weight of 396.53 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 8519720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).