N-(5-chloropentan-2-yl)-3,3-dimethylbutane-1-sulfonamide

C11H24ClNO2S — CID 103521746

IUPACN-(5-chloropentan-2-yl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(CCCCl)NS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H24ClNO2S/c1-10(6-5-8-12)13-16(14,15)9-7-11(2,3)4/h10,13H,5-9H2,1-4H3
InChIKeyCGRIISYYADJVAJ-UHFFFAOYSA-N
MW269.84 g/mol
LogP2.75
Rot. Bonds7

About N-(5-chloropentan-2-yl)-3,3-dimethylbutane-1-sulfonamide

N-(5-chloropentan-2-yl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521746) has the molecular formula C11H24ClNO2S and a molecular weight of 269.84 g/mol. Its IUPAC name is N-(5-chloropentan-2-yl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-chloropentan-2-yl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521746
Molecular FormulaC11H24ClNO2S
Molecular Weight269.84 g/mol
Exact Mass269.12
IUPAC NameN-(5-chloropentan-2-yl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(CCCCl)NS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H24ClNO2S/c1-10(6-5-8-12)13-16(14,15)9-7-11(2,3)4/h10,13H,5-9H2,1-4H3
InChIKeyCGRIISYYADJVAJ-UHFFFAOYSA-N
XLogP2.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 52.75
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

3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide
CID 43654049
N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide
CID 106135546
N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide
CID 111466258
N-(6-methylheptan-2-yl)propane-1-sulfonamide
CID 61383965
2-(3,3-dimethylbutylsulfonylamino)-5-methoxypentanoic acid
CID 104936567
N-(5-aminopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059740
N-(4-chlorobutan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 83178902
4-chloro-N-(4-hydroxypentan-2-yl)butane-1-sulfonamide
CID 116816469
N-[1-(4-tert-butylphenyl)ethyl]-3-chloropropane-1-sulfonamide
CID 60958604
5-(2,2-dimethylpropylsulfonylamino)hexanoic acid
CID 82854198
2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid
CID 104932555
2-chloro-N-pent-4-yn-2-ylethanesulfonamide
CID 107652458

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentan-2-yl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(5-chloropentan-2-yl)-3,3-dimethylbutane-1-sulfonamide (CID 103521746) is N-(5-chloropentan-2-yl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(5-chloropentan-2-yl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(5-chloropentan-2-yl)-3,3-dimethylbutane-1-sulfonamide is CC(CCCCl)NS(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(5-chloropentan-2-yl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is CGRIISYYADJVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2S/c1-10(6-5-8-12)13-16(14,15)9-7-11(2,3)4/h10,13H,5-9H2,1-4H3.
What are the key properties of N-(5-chloropentan-2-yl)-3,3-dimethylbutane-1-sulfonamide?
N-(5-chloropentan-2-yl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 269.84 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentan-2-yl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).