(E)-N-(1-aminohexan-2-yl)-2-(4-chlorophenyl)ethenesulfonamide

C14H21ClN2O2S — CID 80698391

IUPAC(E)-N-(1-aminohexan-2-yl)-2-(4-chlorophenyl)ethenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2S/c1-2-3-4-14(11-16)17-20(18,19)10-9-12-5-7-13(15)8-6-12/h5-10,14,17H,2-4,11,16H2,1H3/b10-9+
InChIKeyWRCCSWNUVXVHQB-MDZDMXLPSA-N
MW316.85 g/mol
LogP2.75
Rot. Bonds8

About (E)-N-(1-aminohexan-2-yl)-2-(4-chlorophenyl)ethenesulfonamide

(E)-N-(1-aminohexan-2-yl)-2-(4-chlorophenyl)ethenesulfonamide (PubChem CID 80698391) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is (E)-N-(1-aminohexan-2-yl)-2-(4-chlorophenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(1-aminohexan-2-yl)-2-(4-chlorophenyl)ethenesulfonamide
PubChem CID80698391
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name(E)-N-(1-aminohexan-2-yl)-2-(4-chlorophenyl)ethenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2S/c1-2-3-4-14(11-16)17-20(18,19)10-9-12-5-7-13(15)8-6-12/h5-10,14,17H,2-4,11,16H2,1H3/b10-9+
InChIKeyWRCCSWNUVXVHQB-MDZDMXLPSA-N
XLogP2.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide
CID 99918665
(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
N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide
CID 80697849
N-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride
CID 119993027
1-amino-2-(sulfamoylamino)hexane
CID 114959420
N-(1-aminohexan-2-yl)-2-chloro-6-fluorobenzenesulfonamide;hydrochloride
CID 120712551
tributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium
CID 102390527
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate
CID 54921365
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]butanedioic acid
CID 78907343
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-aminohexan-2-yl)-2-(4-chlorophenyl)ethenesulfonamide?
The IUPAC name of (E)-N-(1-aminohexan-2-yl)-2-(4-chlorophenyl)ethenesulfonamide (CID 80698391) is (E)-N-(1-aminohexan-2-yl)-2-(4-chlorophenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-(1-aminohexan-2-yl)-2-(4-chlorophenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-(1-aminohexan-2-yl)-2-(4-chlorophenyl)ethenesulfonamide is CCCCC(CN)NS(=O)(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-N-(1-aminohexan-2-yl)-2-(4-chlorophenyl)ethenesulfonamide?
The InChIKey is WRCCSWNUVXVHQB-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-2-3-4-14(11-16)17-20(18,19)10-9-12-5-7-13(15)8-6-12/h5-10,14,17H,2-4,11,16H2,1H3/b10-9+.
What are the key properties of (E)-N-(1-aminohexan-2-yl)-2-(4-chlorophenyl)ethenesulfonamide?
(E)-N-(1-aminohexan-2-yl)-2-(4-chlorophenyl)ethenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-aminohexan-2-yl)-2-(4-chlorophenyl)ethenesulfonamide is sourced from PubChem (CID 80698391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).