6-bromo-N-cyclopropylhexane-1-sulfonamide

C9H18BrNO2S — CID 22111560

IUPAC6-bromo-N-cyclopropylhexane-1-sulfonamide
SMILESO=S(=O)(CCCCCCBr)NC1CC1
InChIInChI=1S/C9H18BrNO2S/c10-7-3-1-2-4-8-14(12,13)11-9-5-6-9/h9,11H,1-8H2
InChIKeyPSLLKUCSJOPKMS-UHFFFAOYSA-N
MW284.22 g/mol
LogP2.02
Rot. Bonds8

About 6-bromo-N-cyclopropylhexane-1-sulfonamide

6-bromo-N-cyclopropylhexane-1-sulfonamide (PubChem CID 22111560) has the molecular formula C9H18BrNO2S and a molecular weight of 284.22 g/mol. Its IUPAC name is 6-bromo-N-cyclopropylhexane-1-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-cyclopropylhexane-1-sulfonamide
PubChem CID22111560
Molecular FormulaC9H18BrNO2S
Molecular Weight284.22 g/mol
Exact Mass283.02
IUPAC Name6-bromo-N-cyclopropylhexane-1-sulfonamide
SMILESO=S(=O)(CCCCCCBr)NC1CC1
InChIInChI=1S/C9H18BrNO2S/c10-7-3-1-2-4-8-14(12,13)11-9-5-6-9/h9,11H,1-8H2
InChIKeyPSLLKUCSJOPKMS-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 52.02
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-cyclopropylhexane-1-sulfonamide
CID 67119181
6-chloro-N-cyclopentylhexane-1-sulfonamide
CID 22111628
6-chloro-N-cyclohexylhexane-1-sulfonamide
CID 22111516
2-amino-N-cyclopropylethanesulfonamide
CID 16787497
methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate
CID 54952583
N-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide
CID 63290314
4-amino-N-(oxolan-3-yl)butane-1-sulfonamide
CID 80716902
4-bromo-N-ethylbutane-1-sulfonamide
CID 154346941
3-hydroxy-N-(4-propylcyclohexyl)propane-1-sulfonamide
CID 114134664
N-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide
CID 68898541
4-[(4-ethylcyclohexyl)sulfamoyl]butanoic acid
CID 54955484
N-(oxan-4-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114135293

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-cyclopropylhexane-1-sulfonamide?
The IUPAC name of 6-bromo-N-cyclopropylhexane-1-sulfonamide (CID 22111560) is 6-bromo-N-cyclopropylhexane-1-sulfonamide.
What is the SMILES notation for 6-bromo-N-cyclopropylhexane-1-sulfonamide?
The canonical SMILES for 6-bromo-N-cyclopropylhexane-1-sulfonamide is O=S(=O)(CCCCCCBr)NC1CC1.
What is the InChIKey of 6-bromo-N-cyclopropylhexane-1-sulfonamide?
The InChIKey is PSLLKUCSJOPKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2S/c10-7-3-1-2-4-8-14(12,13)11-9-5-6-9/h9,11H,1-8H2.
What are the key properties of 6-bromo-N-cyclopropylhexane-1-sulfonamide?
6-bromo-N-cyclopropylhexane-1-sulfonamide has a molecular weight of 284.22 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-cyclopropylhexane-1-sulfonamide is sourced from PubChem (CID 22111560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).