N-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide

C9H10Br2N2O2S — CID 43596915

IUPACN-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide
SMILESNC1CC1NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C9H10Br2N2O2S/c10-5-1-2-6(11)9(3-5)16(14,15)13-8-4-7(8)12/h1-3,7-8,13H,4,12H2
InChIKeyDLZOEUKMSVFWPK-UHFFFAOYSA-N
MW370.07 g/mol
LogP1.59
Rot. Bonds3

About N-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide

N-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide (PubChem CID 43596915) has the molecular formula C9H10Br2N2O2S and a molecular weight of 370.07 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide
PubChem CID43596915
Molecular FormulaC9H10Br2N2O2S
Molecular Weight370.07 g/mol
Exact Mass367.88
IUPAC NameN-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide
SMILESNC1CC1NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C9H10Br2N2O2S/c10-5-1-2-6(11)9(3-5)16(14,15)13-8-4-7(8)12/h1-3,7-8,13H,4,12H2
InChIKeyDLZOEUKMSVFWPK-UHFFFAOYSA-N
XLogP1.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.07
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 43596964
2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide
CID 113431371
N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide
CID 93453140
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dibromobenzenesulfonamide
CID 66197683
5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide
CID 65207075
2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695307
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
(2R,4R)-4-[(2,5-dibromophenyl)sulfonylamino]-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 68851572
2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide
CID 63420566
2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79872231
2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 95400193
2,5-dibromo-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716620

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide?
The IUPAC name of N-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide (CID 43596915) is N-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide?
The canonical SMILES for N-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide is NC1CC1NS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of N-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide?
The InChIKey is DLZOEUKMSVFWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N2O2S/c10-5-1-2-6(11)9(3-5)16(14,15)13-8-4-7(8)12/h1-3,7-8,13H,4,12H2.
What are the key properties of N-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide?
N-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide has a molecular weight of 370.07 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide is sourced from PubChem (CID 43596915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).