(Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide

C13H18ClNO2S — CID 99918665

IUPAC(Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide
SMILESCCC(CC)NS(=O)(=O)/C=C\c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2S/c1-3-13(4-2)15-18(16,17)10-9-11-5-7-12(14)8-6-11/h5-10,13,15H,3-4H2,1-2H3/b10-9-
InChIKeyJPQMQXQGYXBZGS-KTKRTIGZSA-N
MW287.81 g/mol
LogP3.42
Rot. Bonds6

About (Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide

(Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide (PubChem CID 99918665) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide
PubChem CID99918665
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name(Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide
SMILESCCC(CC)NS(=O)(=O)/C=C\c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2S/c1-3-13(4-2)15-18(16,17)10-9-11-5-7-12(14)8-6-11/h5-10,13,15H,3-4H2,1-2H3/b10-9-
InChIKeyJPQMQXQGYXBZGS-KTKRTIGZSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide
CID 43501666
(E)-2-(4-chlorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]ethenesulfonamide
CID 104981974
(E)-N-(1-aminohexan-2-yl)-2-(4-chlorophenyl)ethenesulfonamide
CID 80698391
(E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide
CID 43501665
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]butanedioic acid
CID 78907343
(E)-2-(4-chlorophenyl)-N-(4-ethylphenyl)ethenesulfonamide
CID 26970345
2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide
CID 76948208
ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate
CID 54921365
(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide
CID 8716803
(E)-N-(2-amino-4-methylpentyl)-2-(4-chlorophenyl)ethenesulfonamide
CID 43606431
N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylacetohydrazide
CID 8500743
(E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide
CID 31073687

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide?
The IUPAC name of (Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide (CID 99918665) is (Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide?
The canonical SMILES for (Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide is CCC(CC)NS(=O)(=O)/C=C\c1ccc(Cl)cc1.
What is the InChIKey of (Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide?
The InChIKey is JPQMQXQGYXBZGS-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-3-13(4-2)15-18(16,17)10-9-11-5-7-12(14)8-6-11/h5-10,13,15H,3-4H2,1-2H3/b10-9-.
What are the key properties of (Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide?
(Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide has a molecular weight of 287.81 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide is sourced from PubChem (CID 99918665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).