4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide

C20H24ClNO2S — CID 11632263

IUPAC4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
SMILESCCC(CC)N(C/C=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClNO2S/c1-3-19(4-2)22(16-8-11-17-9-6-5-7-10-17)25(23,24)20-14-12-18(21)13-15-20/h5-15,19H,3-4,16H2,1-2H3/b11-8+
InChIKeyXGVBLDDEHBQBFC-DHZHZOJOSA-N
MW377.94 g/mol
LogP5.23
Rot. Bonds8

About 4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide

4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide (PubChem CID 11632263) has the molecular formula C20H24ClNO2S and a molecular weight of 377.94 g/mol. Its IUPAC name is 4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
PubChem CID11632263
Molecular FormulaC20H24ClNO2S
Molecular Weight377.94 g/mol
Exact Mass377.12
IUPAC Name4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
SMILESCCC(CC)N(C/C=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClNO2S/c1-3-19(4-2)22(16-8-11-17-9-6-5-7-10-17)25(23,24)20-14-12-18(21)13-15-20/h5-15,19H,3-4,16H2,1-2H3/b11-8+
InChIKeyXGVBLDDEHBQBFC-DHZHZOJOSA-N
XLogP5.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.94
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide (CID 11632263) is 4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide is CCC(CC)N(C/C=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide?
The InChIKey is XGVBLDDEHBQBFC-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H24ClNO2S/c1-3-19(4-2)22(16-8-11-17-9-6-5-7-10-17)25(23,24)20-14-12-18(21)13-15-20/h5-15,19H,3-4,16H2,1-2H3/b11-8+.
What are the key properties of 4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide?
4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide has a molecular weight of 377.94 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide is sourced from PubChem (CID 11632263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).