4-bromo-N-(3-bromobutyl)benzenesulfonamide

C10H13Br2NO2S — CID 114297752

IUPAC4-bromo-N-(3-bromobutyl)benzenesulfonamide
SMILESCC(Br)CCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H13Br2NO2S/c1-8(11)6-7-13-16(14,15)10-4-2-9(12)3-5-10/h2-5,8,13H,6-7H2,1H3
InChIKeyRXYQTFXHYNFZMR-UHFFFAOYSA-N
MW371.09 g/mol
LogP2.90
Rot. Bonds5

About 4-bromo-N-(3-bromobutyl)benzenesulfonamide

4-bromo-N-(3-bromobutyl)benzenesulfonamide (PubChem CID 114297752) has the molecular formula C10H13Br2NO2S and a molecular weight of 371.09 g/mol. Its IUPAC name is 4-bromo-N-(3-bromobutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-bromobutyl)benzenesulfonamide
PubChem CID114297752
Molecular FormulaC10H13Br2NO2S
Molecular Weight371.09 g/mol
Exact Mass368.90
IUPAC Name4-bromo-N-(3-bromobutyl)benzenesulfonamide
SMILESCC(Br)CCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H13Br2NO2S/c1-8(11)6-7-13-16(14,15)10-4-2-9(12)3-5-10/h2-5,8,13H,6-7H2,1H3
InChIKeyRXYQTFXHYNFZMR-UHFFFAOYSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.09
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(3-methylbutyl)benzenesulfonamide
CID 669771
2,5-dibromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297785
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635
4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907719
N-(3-bromobutyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113271819
4-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 110292936
4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 64996479
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
N-(2-aminooxyethyl)-4-bromobenzenesulfonamide
CID 39404275
N-(3-bromobutyl)-2-methylbenzenesulfonamide
CID 114297703
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide
CID 108574108

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-bromobutyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-bromobutyl)benzenesulfonamide (CID 114297752) is 4-bromo-N-(3-bromobutyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-bromobutyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-bromobutyl)benzenesulfonamide is CC(Br)CCNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(3-bromobutyl)benzenesulfonamide?
The InChIKey is RXYQTFXHYNFZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2S/c1-8(11)6-7-13-16(14,15)10-4-2-9(12)3-5-10/h2-5,8,13H,6-7H2,1H3.
What are the key properties of 4-bromo-N-(3-bromobutyl)benzenesulfonamide?
4-bromo-N-(3-bromobutyl)benzenesulfonamide has a molecular weight of 371.09 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-bromobutyl)benzenesulfonamide is sourced from PubChem (CID 114297752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).