2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C16H21BrN2O3S — CID 126139073

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)cc1)NCCC1=CCCCC1
InChIInChI=1S/C16H21BrN2O3S/c17-14-6-8-15(9-7-14)23(21,22)19-12-16(20)18-11-10-13-4-2-1-3-5-13/h4,6-9,19H,1-3,5,10-12H2,(H,18,20)
InChIKeyLQZMRXKXSZBXNF-UHFFFAOYSA-N
MW401.33 g/mol
LogP2.73
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 126139073) has the molecular formula C16H21BrN2O3S and a molecular weight of 401.33 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID126139073
Molecular FormulaC16H21BrN2O3S
Molecular Weight401.33 g/mol
Exact Mass400.05
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)cc1)NCCC1=CCCCC1
InChIInChI=1S/C16H21BrN2O3S/c17-14-6-8-15(9-7-14)23(21,22)19-12-16(20)18-11-10-13-4-2-1-3-5-13/h4,6-9,19H,1-3,5,10-12H2,(H,18,20)
InChIKeyLQZMRXKXSZBXNF-UHFFFAOYSA-N
XLogP2.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 112991103
N-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide
CID 31481407
N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 29261799
(4-bromophenyl)methyl-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylazanium
CID 8539354
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 38105049
2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 54816624
3-bromo-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 46652282
2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide
CID 112995289
4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 109059643
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
4-amino-3-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 62058693
4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide
CID 109058268

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 126139073) is 2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is O=C(CNS(=O)(=O)c1ccc(Br)cc1)NCCC1=CCCCC1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is LQZMRXKXSZBXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O3S/c17-14-6-8-15(9-7-14)23(21,22)19-12-16(20)18-11-10-13-4-2-1-3-5-13/h4,6-9,19H,1-3,5,10-12H2,(H,18,20).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 401.33 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 126139073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).