2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide

C10H11Br2NO2S — CID 115634630

IUPAC2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C10H11Br2NO2S/c1-10(4-5-10)13-16(14,15)9-6-7(11)2-3-8(9)12/h2-3,6,13H,4-5H2,1H3
InChIKeyAOFOCFOEDOMBLA-UHFFFAOYSA-N
MW369.08 g/mol
LogP3.04
Rot. Bonds3

About 2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide

2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide (PubChem CID 115634630) has the molecular formula C10H11Br2NO2S and a molecular weight of 369.08 g/mol. Its IUPAC name is 2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide
PubChem CID115634630
Molecular FormulaC10H11Br2NO2S
Molecular Weight369.08 g/mol
Exact Mass366.89
IUPAC Name2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C10H11Br2NO2S/c1-10(4-5-10)13-16(14,15)9-6-7(11)2-3-8(9)12/h2-3,6,13H,4-5H2,1H3
InChIKeyAOFOCFOEDOMBLA-UHFFFAOYSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.08
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-(methylaminomethyl)-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113486176
1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81164987
5-bromo-N-(1-methylcyclohexyl)-2-nitrobenzenesulfonamide
CID 61223531
3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634617
3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 114380220
2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79872231
2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299191
5-bromo-2-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 60660558
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 115765501
5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113485245
2,5-dibromo-N-ethoxybenzenesulfonamide
CID 60700593

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide (CID 115634630) is 2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide is CC1(NS(=O)(=O)c2cc(Br)ccc2Br)CC1.
What is the InChIKey of 2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide?
The InChIKey is AOFOCFOEDOMBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO2S/c1-10(4-5-10)13-16(14,15)9-6-7(11)2-3-8(9)12/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide?
2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide has a molecular weight of 369.08 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 115634630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).