(E)-N-(2-amino-4-methylpentyl)-2-(4-chlorophenyl)ethenesulfonamide

C14H21ClN2O2S — CID 43606431

IUPAC(E)-N-(2-amino-4-methylpentyl)-2-(4-chlorophenyl)ethenesulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2S/c1-11(2)9-14(16)10-17-20(18,19)8-7-12-3-5-13(15)6-4-12/h3-8,11,14,17H,9-10,16H2,1-2H3/b8-7+
InChIKeyHSCMBBZEJQYLPW-BQYQJAHWSA-N
MW316.85 g/mol
LogP2.60
Rot. Bonds7

About (E)-N-(2-amino-4-methylpentyl)-2-(4-chlorophenyl)ethenesulfonamide

(E)-N-(2-amino-4-methylpentyl)-2-(4-chlorophenyl)ethenesulfonamide (PubChem CID 43606431) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is (E)-N-(2-amino-4-methylpentyl)-2-(4-chlorophenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(2-amino-4-methylpentyl)-2-(4-chlorophenyl)ethenesulfonamide
PubChem CID43606431
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name(E)-N-(2-amino-4-methylpentyl)-2-(4-chlorophenyl)ethenesulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2S/c1-11(2)9-14(16)10-17-20(18,19)8-7-12-3-5-13(15)6-4-12/h3-8,11,14,17H,9-10,16H2,1-2H3/b8-7+
InChIKeyHSCMBBZEJQYLPW-BQYQJAHWSA-N
XLogP2.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide
CID 76948208
(2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935897
(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide
CID 8716803
ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate
CID 54921365
(E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride
CID 70285128
(3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride
CID 70285132
(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)-3-phenylpropyl]ethenesulfonamide
CID 55353883
(Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide
CID 99918665
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide
CID 9302302
(E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide
CID 43605703
3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid
CID 43237715
2-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]ethenesulfonamide
CID 76863114

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-amino-4-methylpentyl)-2-(4-chlorophenyl)ethenesulfonamide?
The IUPAC name of (E)-N-(2-amino-4-methylpentyl)-2-(4-chlorophenyl)ethenesulfonamide (CID 43606431) is (E)-N-(2-amino-4-methylpentyl)-2-(4-chlorophenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-(2-amino-4-methylpentyl)-2-(4-chlorophenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-(2-amino-4-methylpentyl)-2-(4-chlorophenyl)ethenesulfonamide is CC(C)CC(N)CNS(=O)(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-N-(2-amino-4-methylpentyl)-2-(4-chlorophenyl)ethenesulfonamide?
The InChIKey is HSCMBBZEJQYLPW-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-11(2)9-14(16)10-17-20(18,19)8-7-12-3-5-13(15)6-4-12/h3-8,11,14,17H,9-10,16H2,1-2H3/b8-7+.
What are the key properties of (E)-N-(2-amino-4-methylpentyl)-2-(4-chlorophenyl)ethenesulfonamide?
(E)-N-(2-amino-4-methylpentyl)-2-(4-chlorophenyl)ethenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-amino-4-methylpentyl)-2-(4-chlorophenyl)ethenesulfonamide is sourced from PubChem (CID 43606431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).