4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide

C19H25NO4S2 — CID 51249409

IUPAC4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H25NO4S2/c1-5-14(2)16-6-12-19(13-7-16)26(23,24)20-15(3)17-8-10-18(11-9-17)25(4,21)22/h6-15,20H,5H2,1-4H3
InChIKeyWIXCNZAPZFGDRP-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.64
Rot. Bonds7

About 4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide

4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide (PubChem CID 51249409) has the molecular formula C19H25NO4S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
PubChem CID51249409
Molecular FormulaC19H25NO4S2
Molecular Weight395.55 g/mol
Exact Mass395.12
IUPAC Name4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H25NO4S2/c1-5-14(2)16-6-12-19(13-7-16)26(23,24)20-15(3)17-8-10-18(11-9-17)25(4,21)22/h6-15,20H,5H2,1-4H3
InChIKeyWIXCNZAPZFGDRP-UHFFFAOYSA-N
XLogP3.64
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[1-(4-butan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22204714
4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772316
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405
N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22204718
4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854220
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide
CID 94211223
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 26540985
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide
CID 104873238
N-benzhydryl-4-butan-2-ylbenzenesulfonamide
CID 19681704
(2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79009568

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide (CID 51249409) is 4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide?
The InChIKey is WIXCNZAPZFGDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S2/c1-5-14(2)16-6-12-19(13-7-16)26(23,24)20-15(3)17-8-10-18(11-9-17)25(4,21)22/h6-15,20H,5H2,1-4H3.
What are the key properties of 4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide?
4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide has a molecular weight of 395.55 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 51249409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).