(E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide

C12H17ClN2O2S — CID 113285734

IUPAC(E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide
SMILESCN(CCCN)S(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2S/c1-15(9-2-8-14)18(16,17)10-7-11-3-5-12(13)6-4-11/h3-7,10H,2,8-9,14H2,1H3/b10-7+
InChIKeyBLSSFUJTLXPRFK-JXMROGBWSA-N
MW288.80 g/mol
LogP1.92
Rot. Bonds6

About (E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide

(E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide (PubChem CID 113285734) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is (E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide
PubChem CID113285734
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name(E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide
SMILESCN(CCCN)S(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2S/c1-15(9-2-8-14)18(16,17)10-7-11-3-5-12(13)6-4-11/h3-7,10H,2,8-9,14H2,1H3/b10-7+
InChIKeyBLSSFUJTLXPRFK-JXMROGBWSA-N
XLogP1.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide
CID 113285744
(E)-2-(4-chlorophenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylethenesulfonamide
CID 8801139
(E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide
CID 51169798
2-(4-chlorophenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethenesulfonamide
CID 77045943
(E)-2-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylethenesulfonamide
CID 8778167
(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide
CID 8716803
(E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide
CID 106630787
(E)-N-(3-aminopropyl)-3-(4-chlorophenyl)-N-ethylprop-2-enamide
CID 83969210
N-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide
CID 77114927
2-[2-(4-chlorophenyl)ethenylsulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 78665804
(E)-2-(4-chlorophenyl)-N-phenyl-N-propan-2-ylethenesulfonamide
CID 56541872
N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9427564

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide?
The IUPAC name of (E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide (CID 113285734) is (E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide.
What is the SMILES notation for (E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide?
The canonical SMILES for (E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide is CN(CCCN)S(=O)(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide?
The InChIKey is BLSSFUJTLXPRFK-JXMROGBWSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-15(9-2-8-14)18(16,17)10-7-11-3-5-12(13)6-4-11/h3-7,10H,2,8-9,14H2,1H3/b10-7+.
What are the key properties of (E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide?
(E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide is sourced from PubChem (CID 113285734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).