N-cyclopropyl-3-[(2,5-dibromophenyl)sulfonylamino]benzamide

C16H14Br2N2O3S — CID 26489644

IUPACN-cyclopropyl-3-[(2,5-dibromophenyl)sulfonylamino]benzamide
SMILESO=C(NC1CC1)c1cccc(NS(=O)(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C16H14Br2N2O3S/c17-11-4-7-14(18)15(9-11)24(22,23)20-13-3-1-2-10(8-13)16(21)19-12-5-6-12/h1-4,7-9,12,20H,5-6H2,(H,19,21)
InChIKeyOVMHTYJOSXQQMU-UHFFFAOYSA-N
MW474.17 g/mol
LogP3.90
Rot. Bonds5

About N-cyclopropyl-3-[(2,5-dibromophenyl)sulfonylamino]benzamide

N-cyclopropyl-3-[(2,5-dibromophenyl)sulfonylamino]benzamide (PubChem CID 26489644) has the molecular formula C16H14Br2N2O3S and a molecular weight of 474.17 g/mol. Its IUPAC name is N-cyclopropyl-3-[(2,5-dibromophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(2,5-dibromophenyl)sulfonylamino]benzamide
PubChem CID26489644
Molecular FormulaC16H14Br2N2O3S
Molecular Weight474.17 g/mol
Exact Mass471.91
IUPAC NameN-cyclopropyl-3-[(2,5-dibromophenyl)sulfonylamino]benzamide
SMILESO=C(NC1CC1)c1cccc(NS(=O)(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C16H14Br2N2O3S/c17-11-4-7-14(18)15(9-11)24(22,23)20-13-3-1-2-10(8-13)16(21)19-12-5-6-12/h1-4,7-9,12,20H,5-6H2,(H,19,21)
InChIKeyOVMHTYJOSXQQMU-UHFFFAOYSA-N
XLogP3.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.17
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-5-nitrophenyl)sulfonylamino]-N-cyclopropylbenzamide
CID 71871638
3-(benzenesulfonamido)-N-cyclopropylbenzamide
CID 17465618
3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid
CID 22109123
N-cyclopropyl-3-[(2-nitrophenyl)sulfonylamino]benzamide
CID 40688024
N-cyclopropyl-3-[(4-cyclopropylphenyl)sulfonylamino]benzamide
CID 167833629
N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide
CID 26952572
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043419
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120674975
N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 119474947

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(2,5-dibromophenyl)sulfonylamino]benzamide?
The IUPAC name of N-cyclopropyl-3-[(2,5-dibromophenyl)sulfonylamino]benzamide (CID 26489644) is N-cyclopropyl-3-[(2,5-dibromophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[(2,5-dibromophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[(2,5-dibromophenyl)sulfonylamino]benzamide is O=C(NC1CC1)c1cccc(NS(=O)(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of N-cyclopropyl-3-[(2,5-dibromophenyl)sulfonylamino]benzamide?
The InChIKey is OVMHTYJOSXQQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2O3S/c17-11-4-7-14(18)15(9-11)24(22,23)20-13-3-1-2-10(8-13)16(21)19-12-5-6-12/h1-4,7-9,12,20H,5-6H2,(H,19,21).
What are the key properties of N-cyclopropyl-3-[(2,5-dibromophenyl)sulfonylamino]benzamide?
N-cyclopropyl-3-[(2,5-dibromophenyl)sulfonylamino]benzamide has a molecular weight of 474.17 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(2,5-dibromophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 26489644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).