2-(2-bromopentan-3-yl)benzenesulfonamide

C11H16BrNO2S — CID 63203612

IUPAC2-(2-bromopentan-3-yl)benzenesulfonamide
SMILESCCC(c1ccccc1S(N)(=O)=O)C(C)Br
InChIInChI=1S/C11H16BrNO2S/c1-3-9(8(2)12)10-6-4-5-7-11(10)16(13,14)15/h4-9H,3H2,1-2H3,(H2,13,14,15)
InChIKeyBRBCKLUJUNMPAL-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.61
Rot. Bonds4

About 2-(2-bromopentan-3-yl)benzenesulfonamide

2-(2-bromopentan-3-yl)benzenesulfonamide (PubChem CID 63203612) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 2-(2-bromopentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-bromopentan-3-yl)benzenesulfonamide
PubChem CID63203612
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name2-(2-bromopentan-3-yl)benzenesulfonamide
SMILESCCC(c1ccccc1S(N)(=O)=O)C(C)Br
InChIInChI=1S/C11H16BrNO2S/c1-3-9(8(2)12)10-6-4-5-7-11(10)16(13,14)15/h4-9H,3H2,1-2H3,(H2,13,14,15)
InChIKeyBRBCKLUJUNMPAL-UHFFFAOYSA-N
XLogP2.61
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.61
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

2-(3-chloropentan-2-yl)benzenesulfonamide
CID 63562150
2-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 167679845
2-(3-oxopentan-2-yl)benzenesulfonamide
CID 63549984
2-[(2S,3S)-1-hydroxy-3-methyloctan-2-yl]benzenesulfonamide
CID 140551026
2-[(2S,3R)-1-hydroxy-3-methylnonan-2-yl]benzenesulfonamide
CID 140551000
3-(2-methylsulfonylphenyl)pentan-2-ol
CID 63201177
2-(2-bromobutyl)benzenesulfonamide
CID 63203633
2-(2-aminopentan-3-yl)-N-ethylbenzenesulfonamide
CID 63200269
2-(dichloromethyl)benzenesulfonamide
CID 13364615
2-[(3S,4S)-5-hydroxy-3,7-dimethyloct-6-en-4-yl]benzenesulfonamide
CID 140550981
1-(2-chloropentan-3-yl)-2-(difluoromethylsulfonyl)benzene
CID 63205183
4-(2-bromopentan-3-yl)-3-nitrobenzenesulfonamide
CID 55163390

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopentan-3-yl)benzenesulfonamide?
The IUPAC name of 2-(2-bromopentan-3-yl)benzenesulfonamide (CID 63203612) is 2-(2-bromopentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-(2-bromopentan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-(2-bromopentan-3-yl)benzenesulfonamide is CCC(c1ccccc1S(N)(=O)=O)C(C)Br.
What is the InChIKey of 2-(2-bromopentan-3-yl)benzenesulfonamide?
The InChIKey is BRBCKLUJUNMPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-3-9(8(2)12)10-6-4-5-7-11(10)16(13,14)15/h4-9H,3H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-(2-bromopentan-3-yl)benzenesulfonamide?
2-(2-bromopentan-3-yl)benzenesulfonamide has a molecular weight of 306.23 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromopentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 63203612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).