(E)-2-(4-bromophenyl)-N-[1-(diethylamino)propan-2-yl]ethenesulfonamide

C15H23BrN2O2S — CID 86804956

IUPAC(E)-2-(4-bromophenyl)-N-[1-(diethylamino)propan-2-yl]ethenesulfonamide
SMILESCCN(CC)CC(C)NS(=O)(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O2S/c1-4-18(5-2)12-13(3)17-21(19,20)11-10-14-6-8-15(16)9-7-14/h6-11,13,17H,4-5,12H2,1-3H3/b11-10+
InChIKeyQGNJPNZZHSAPLA-ZHACJKMWSA-N
MW375.33 g/mol
LogP3.07
Rot. Bonds8

About (E)-2-(4-bromophenyl)-N-[1-(diethylamino)propan-2-yl]ethenesulfonamide

(E)-2-(4-bromophenyl)-N-[1-(diethylamino)propan-2-yl]ethenesulfonamide (PubChem CID 86804956) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is (E)-2-(4-bromophenyl)-N-[1-(diethylamino)propan-2-yl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-bromophenyl)-N-[1-(diethylamino)propan-2-yl]ethenesulfonamide
PubChem CID86804956
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name(E)-2-(4-bromophenyl)-N-[1-(diethylamino)propan-2-yl]ethenesulfonamide
SMILESCCN(CC)CC(C)NS(=O)(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O2S/c1-4-18(5-2)12-13(3)17-21(19,20)11-10-14-6-8-15(16)9-7-14/h6-11,13,17H,4-5,12H2,1-3H3/b11-10+
InChIKeyQGNJPNZZHSAPLA-ZHACJKMWSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide
CID 71873114
2-(4-bromophenyl)-N,N-dimethylethenesulfonamide
CID 171130245
3-bromo-4-chloro-N-[1-(diethylamino)propan-2-yl]benzenesulfonamide
CID 106612140
(Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide
CID 99918665
N-[1-(diethylamino)propan-2-yl]propane-2-sulfonamide
CID 64584579
N-[1-(diethylamino)propan-2-yl]sulfamoyl chloride
CID 114958265
(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
N-[1-(diethylamino)propan-2-yl]methanesulfonamide;ethene
CID 91510030
N-(3-aminopropyl)-2-(4-bromophenyl)ethenesulfonamide;hydrochloride
CID 127265571
(E)-N-[1-(furan-2-yl)propan-2-yl]-2-(4-methylphenyl)ethenesulfonamide
CID 71796423
2-(4-methylphenyl)-N-(4-oxo-4-phenylbutan-2-yl)ethenesulfonamide
CID 71846487
5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide
CID 106052222

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-bromophenyl)-N-[1-(diethylamino)propan-2-yl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-bromophenyl)-N-[1-(diethylamino)propan-2-yl]ethenesulfonamide (CID 86804956) is (E)-2-(4-bromophenyl)-N-[1-(diethylamino)propan-2-yl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-bromophenyl)-N-[1-(diethylamino)propan-2-yl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-bromophenyl)-N-[1-(diethylamino)propan-2-yl]ethenesulfonamide is CCN(CC)CC(C)NS(=O)(=O)/C=C/c1ccc(Br)cc1.
What is the InChIKey of (E)-2-(4-bromophenyl)-N-[1-(diethylamino)propan-2-yl]ethenesulfonamide?
The InChIKey is QGNJPNZZHSAPLA-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-4-18(5-2)12-13(3)17-21(19,20)11-10-14-6-8-15(16)9-7-14/h6-11,13,17H,4-5,12H2,1-3H3/b11-10+.
What are the key properties of (E)-2-(4-bromophenyl)-N-[1-(diethylamino)propan-2-yl]ethenesulfonamide?
(E)-2-(4-bromophenyl)-N-[1-(diethylamino)propan-2-yl]ethenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-bromophenyl)-N-[1-(diethylamino)propan-2-yl]ethenesulfonamide is sourced from PubChem (CID 86804956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).