4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide

C10H12Br2ClNO2S — CID 107602655

IUPAC4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1c(Br)cccc1Br
InChIInChI=1S/C10H12Br2ClNO2S/c11-8-4-3-5-9(12)10(8)14-17(15,16)7-2-1-6-13/h3-5,14H,1-2,6-7H2
InChIKeyCPPASMBIGIZKJO-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.97
Rot. Bonds6

About 4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide

4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide (PubChem CID 107602655) has the molecular formula C10H12Br2ClNO2S and a molecular weight of 405.54 g/mol. Its IUPAC name is 4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide
PubChem CID107602655
Molecular FormulaC10H12Br2ClNO2S
Molecular Weight405.54 g/mol
Exact Mass402.86
IUPAC Name4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1c(Br)cccc1Br
InChIInChI=1S/C10H12Br2ClNO2S/c11-8-4-3-5-9(12)10(8)14-17(15,16)7-2-1-6-13/h3-5,14H,1-2,6-7H2
InChIKeyCPPASMBIGIZKJO-UHFFFAOYSA-N
XLogP3.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide
CID 107602659
4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide
CID 116814857
N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 114142503
N-(2,6-dibromophenyl)-3-(propylamino)propane-1-sulfonamide
CID 106088845
1-bromo-N-(2,6-dibromophenyl)methanesulfonamide
CID 107602651
4-chloro-N-phenylbutane-1-sulfonamide
CID 116814759
4-chloro-N-(3-methylphenyl)butane-1-sulfonamide
CID 116815142
4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide
CID 116815572
N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide
CID 116816273
N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106089645
4-(4-chlorobutylsulfonylamino)benzenesulfonamide
CID 3018484
4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide
CID 116814969

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide (CID 107602655) is 4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide is O=S(=O)(CCCCCl)Nc1c(Br)cccc1Br.
What is the InChIKey of 4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide?
The InChIKey is CPPASMBIGIZKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2ClNO2S/c11-8-4-3-5-9(12)10(8)14-17(15,16)7-2-1-6-13/h3-5,14H,1-2,6-7H2.
What are the key properties of 4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide?
4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide has a molecular weight of 405.54 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide is sourced from PubChem (CID 107602655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).