3-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzenesulfonamide

C14H20ClNO3S — CID 106439077

IUPAC3-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzenesulfonamide
SMILESCCC(C)c1cc(S(N)(=O)=O)ccc1OC/C(C)=C/Cl
InChIInChI=1S/C14H20ClNO3S/c1-4-11(3)13-7-12(20(16,17)18)5-6-14(13)19-9-10(2)8-15/h5-8,11H,4,9H2,1-3H3,(H2,16,17,18)/b10-8+
InChIKeySIFRTJJUFLBMMR-CSKARUKUSA-N
MW317.84 g/mol
LogP3.37
Rot. Bonds6

About 3-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzenesulfonamide

3-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzenesulfonamide (PubChem CID 106439077) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 3-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzenesulfonamide
PubChem CID106439077
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name3-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzenesulfonamide
SMILESCCC(C)c1cc(S(N)(=O)=O)ccc1OC/C(C)=C/Cl
InChIInChI=1S/C14H20ClNO3S/c1-4-11(3)13-7-12(20(16,17)18)5-6-14(13)19-9-10(2)8-15/h5-8,11H,4,9H2,1-3H3,(H2,16,17,18)/b10-8+
InChIKeySIFRTJJUFLBMMR-CSKARUKUSA-N
XLogP3.37
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide
CID 61057154
4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide
CID 80695433
3-butan-2-yl-4-pentoxybenzenesulfonyl chloride
CID 43134446
3-butan-2-yl-4-methoxybenzenesulfonyl chloride
CID 43134452
1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol
CID 106438801
3-butan-2-yl-4-(2-propoxyethoxy)benzenesulfonyl chloride
CID 106451030
1-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzene
CID 106440303
3-butan-2-yl-4-(oxan-3-yloxy)benzenesulfonamide
CID 107135302
4-but-3-ynoxy-3-propan-2-ylbenzenesulfonamide
CID 82914375
(1R)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]ethanamine
CID 106437118
1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]ethanamine
CID 106437114
2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyaniline
CID 106436579

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzenesulfonamide?
The IUPAC name of 3-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzenesulfonamide (CID 106439077) is 3-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzenesulfonamide.
What is the SMILES notation for 3-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzenesulfonamide?
The canonical SMILES for 3-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzenesulfonamide is CCC(C)c1cc(S(N)(=O)=O)ccc1OC/C(C)=C/Cl.
What is the InChIKey of 3-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzenesulfonamide?
The InChIKey is SIFRTJJUFLBMMR-CSKARUKUSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-4-11(3)13-7-12(20(16,17)18)5-6-14(13)19-9-10(2)8-15/h5-8,11H,4,9H2,1-3H3,(H2,16,17,18)/b10-8+.
What are the key properties of 3-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzenesulfonamide?
3-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzenesulfonamide has a molecular weight of 317.84 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzenesulfonamide is sourced from PubChem (CID 106439077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).