2-(4-bromophenyl)sulfonyl-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride

C14H22BrClN2O3S — CID 119508899

IUPAC2-(4-bromophenyl)sulfonyl-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride
SMILESCCNCCNC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C14H21BrN2O3S.ClH/c1-4-16-9-10-17-13(18)14(2,3)21(19,20)12-7-5-11(15)6-8-12;/h5-8,16H,4,9-10H2,1-3H3,(H,17,18);1H
InChIKeyRVIGMROMFZZJEF-UHFFFAOYSA-N
MW413.77 g/mol
LogP2.15
Rot. Bonds7

About 2-(4-bromophenyl)sulfonyl-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride

2-(4-bromophenyl)sulfonyl-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride (PubChem CID 119508899) has the molecular formula C14H22BrClN2O3S and a molecular weight of 413.77 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride
PubChem CID119508899
Molecular FormulaC14H22BrClN2O3S
Molecular Weight413.77 g/mol
Exact Mass412.02
IUPAC Name2-(4-bromophenyl)sulfonyl-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride
SMILESCCNCCNC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C14H21BrN2O3S.ClH/c1-4-16-9-10-17-13(18)14(2,3)21(19,20)12-7-5-11(15)6-8-12;/h5-8,16H,4,9-10H2,1-3H3,(H,17,18);1H
InChIKeyRVIGMROMFZZJEF-UHFFFAOYSA-N
XLogP2.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.77
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide
CID 120651607
2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119509414
(2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride
CID 119328873
4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119505424
2-(benzenesulfonyl)-2-methyl-N-(3-phenylpropyl)propanamide
CID 155557565
2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
CID 86880687
N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119792992
1-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride
CID 119792990
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide
CID 108574108
1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119508703
3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide
CID 119508627
2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide
CID 114374303

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride (CID 119508899) is 2-(4-bromophenyl)sulfonyl-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride is CCNCCNC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1.Cl.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride?
The InChIKey is RVIGMROMFZZJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S.ClH/c1-4-16-9-10-17-13(18)14(2,3)21(19,20)12-7-5-11(15)6-8-12;/h5-8,16H,4,9-10H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-(4-bromophenyl)sulfonyl-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride?
2-(4-bromophenyl)sulfonyl-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride has a molecular weight of 413.77 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119508899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).