N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide

C11H15BrN2O3S — CID 108574108

IUPACN-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide
SMILESCCC(=O)NCCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O3S/c1-2-11(15)13-7-8-14-18(16,17)10-5-3-9(12)4-6-10/h3-6,14H,2,7-8H2,1H3,(H,13,15)
InChIKeyMIOCNQZVERMOLM-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.25
Rot. Bonds6

About N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide

N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide (PubChem CID 108574108) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide
PubChem CID108574108
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC NameN-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide
SMILESCCC(=O)NCCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O3S/c1-2-11(15)13-7-8-14-18(16,17)10-5-3-9(12)4-6-10/h3-6,14H,2,7-8H2,1H3,(H,13,15)
InChIKeyMIOCNQZVERMOLM-UHFFFAOYSA-N
XLogP1.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide
CID 108574101
2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid
CID 68632814
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573109
prop-1-en-2-yl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate
CID 89104122
2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide
CID 112995289
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 14382253
3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431442
(2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide
CID 8751709
3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide
CID 4781268
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571108
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide?
The IUPAC name of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide (CID 108574108) is N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide?
The canonical SMILES for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide is CCC(=O)NCCNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide?
The InChIKey is MIOCNQZVERMOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-2-11(15)13-7-8-14-18(16,17)10-5-3-9(12)4-6-10/h3-6,14H,2,7-8H2,1H3,(H,13,15).
What are the key properties of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide?
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide has a molecular weight of 335.22 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide is sourced from PubChem (CID 108574108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).