2-(3-chloropentan-2-yl)benzenesulfonamide

C11H16ClNO2S — CID 63562150

IUPAC2-(3-chloropentan-2-yl)benzenesulfonamide
SMILESCCC(Cl)C(C)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H16ClNO2S/c1-3-10(12)8(2)9-6-4-5-7-11(9)16(13,14)15/h4-8,10H,3H2,1-2H3,(H2,13,14,15)
InChIKeyBSVWVROEDIXXQG-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.45
Rot. Bonds4

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

2-(3-chloropentan-2-yl)benzenesulfonamide (PubChem CID 63562150) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 2-(3-chloropentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(3-chloropentan-2-yl)benzenesulfonamide
PubChem CID63562150
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name2-(3-chloropentan-2-yl)benzenesulfonamide
SMILESCCC(Cl)C(C)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H16ClNO2S/c1-3-10(12)8(2)9-6-4-5-7-11(9)16(13,14)15/h4-8,10H,3H2,1-2H3,(H2,13,14,15)
InChIKeyBSVWVROEDIXXQG-UHFFFAOYSA-N
XLogP2.45
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.45
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-(2-bromopentan-3-yl)benzenesulfonamide
CID 63203612
2-(dichloromethyl)benzenesulfonamide
CID 13364615
2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide
CID 55220897
2-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 167679845
2-(3-oxopentan-2-yl)benzenesulfonamide
CID 63549984
1-(3-chloropentan-2-yl)naphthalene
CID 79308301
2-[(3S,4S)-5-hydroxy-3,7-dimethyloct-6-en-4-yl]benzenesulfonamide
CID 140550981
2-[(3S,4S)-5-hydroxy-3-methylundecan-4-yl]benzenesulfonamide
CID 140550987
2-[(2S,3S)-1-hydroxy-3-methyloctan-2-yl]benzenesulfonamide
CID 140551026
2-(2-methylbutylamino)benzenesulfonamide
CID 62692672
2-[(2S,3R)-1-hydroxy-3-methylnonan-2-yl]benzenesulfonamide
CID 140551000
2-amino-3-propan-2-ylbenzenesulfonamide
CID 67063379

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropentan-2-yl)benzenesulfonamide?
The IUPAC name of 2-(3-chloropentan-2-yl)benzenesulfonamide (CID 63562150) is 2-(3-chloropentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(3-chloropentan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(3-chloropentan-2-yl)benzenesulfonamide is CCC(Cl)C(C)c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(3-chloropentan-2-yl)benzenesulfonamide?
The InChIKey is BSVWVROEDIXXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-3-10(12)8(2)9-6-4-5-7-11(9)16(13,14)15/h4-8,10H,3H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-(3-chloropentan-2-yl)benzenesulfonamide?
2-(3-chloropentan-2-yl)benzenesulfonamide has a molecular weight of 261.77 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 63562150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).