(E)-2-[4-(2-methylpropyl)phenyl]ethenesulfonamide

C12H17NO2S — CID 10331830

IUPAC(E)-2-[4-(2-methylpropyl)phenyl]ethenesulfonamide
SMILESCC(C)Cc1ccc(/C=C/S(N)(=O)=O)cc1
InChIInChI=1S/C12H17NO2S/c1-10(2)9-12-5-3-11(4-6-12)7-8-16(13,14)15/h3-8,10H,9H2,1-2H3,(H2,13,14,15)/b8-7+
InChIKeySIGNKMJDZSFIIT-BQYQJAHWSA-N
MW239.34 g/mol
LogP2.14
Rot. Bonds4

About (E)-2-[4-(2-methylpropyl)phenyl]ethenesulfonamide

(E)-2-[4-(2-methylpropyl)phenyl]ethenesulfonamide (PubChem CID 10331830) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is (E)-2-[4-(2-methylpropyl)phenyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-[4-(2-methylpropyl)phenyl]ethenesulfonamide
PubChem CID10331830
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name(E)-2-[4-(2-methylpropyl)phenyl]ethenesulfonamide
SMILESCC(C)Cc1ccc(/C=C/S(N)(=O)=O)cc1
InChIInChI=1S/C12H17NO2S/c1-10(2)9-12-5-3-11(4-6-12)7-8-16(13,14)15/h3-8,10H,9H2,1-2H3,(H2,13,14,15)/b8-7+
InChIKeySIGNKMJDZSFIIT-BQYQJAHWSA-N
XLogP2.14
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-(2-methylpropyl)phenyl]ethenesulfonamide?
The IUPAC name of (E)-2-[4-(2-methylpropyl)phenyl]ethenesulfonamide (CID 10331830) is (E)-2-[4-(2-methylpropyl)phenyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-[4-(2-methylpropyl)phenyl]ethenesulfonamide?
The canonical SMILES for (E)-2-[4-(2-methylpropyl)phenyl]ethenesulfonamide is CC(C)Cc1ccc(/C=C/S(N)(=O)=O)cc1.
What is the InChIKey of (E)-2-[4-(2-methylpropyl)phenyl]ethenesulfonamide?
The InChIKey is SIGNKMJDZSFIIT-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-10(2)9-12-5-3-11(4-6-12)7-8-16(13,14)15/h3-8,10H,9H2,1-2H3,(H2,13,14,15)/b8-7+.
What are the key properties of (E)-2-[4-(2-methylpropyl)phenyl]ethenesulfonamide?
(E)-2-[4-(2-methylpropyl)phenyl]ethenesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-(2-methylpropyl)phenyl]ethenesulfonamide is sourced from PubChem (CID 10331830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).