N-(5-chloro-2,2-dimethylpentyl)-2-methylpropane-1-sulfonamide

C11H24ClNO2S — CID 106146169

IUPACN-(5-chloro-2,2-dimethylpentyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCC(C)(C)CCCCl
InChIInChI=1S/C11H24ClNO2S/c1-10(2)8-16(14,15)13-9-11(3,4)6-5-7-12/h10,13H,5-9H2,1-4H3
InChIKeyHWONMBAQAFFJNN-UHFFFAOYSA-N
MW269.84 g/mol
LogP2.61
Rot. Bonds8

About N-(5-chloro-2,2-dimethylpentyl)-2-methylpropane-1-sulfonamide

N-(5-chloro-2,2-dimethylpentyl)-2-methylpropane-1-sulfonamide (PubChem CID 106146169) has the molecular formula C11H24ClNO2S and a molecular weight of 269.84 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)-2-methylpropane-1-sulfonamide
PubChem CID106146169
Molecular FormulaC11H24ClNO2S
Molecular Weight269.84 g/mol
Exact Mass269.12
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCC(C)(C)CCCCl
InChIInChI=1S/C11H24ClNO2S/c1-10(2)8-16(14,15)13-9-11(3,4)6-5-7-12/h10,13H,5-9H2,1-4H3
InChIKeyHWONMBAQAFFJNN-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
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

N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropane-1-sulfonamide
CID 103836501
N-(5-chloro-2,2-dimethylpentyl)-2-ethoxyethanesulfonamide
CID 106146162
5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 106140823
N-(4-chloro-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106146106
5-chloro-N,2,2-trimethylpentan-1-amine
CID 106140604
2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide
CID 114149858
3-chloro-N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide
CID 66171876
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide
CID 114149844
N-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide
CID 106146122
N-(5-chloro-2,2-dimethylpentyl)-3,4-difluorobenzenesulfonamide
CID 106146125
N-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114149847
2-chloro-N-(5-chloro-2,2-dimethylpentyl)-5-fluorobenzenesulfonamide
CID 106146182

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2-methylpropane-1-sulfonamide (CID 106146169) is N-(5-chloro-2,2-dimethylpentyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NCC(C)(C)CCCCl.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)-2-methylpropane-1-sulfonamide?
The InChIKey is HWONMBAQAFFJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2S/c1-10(2)8-16(14,15)13-9-11(3,4)6-5-7-12/h10,13H,5-9H2,1-4H3.
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)-2-methylpropane-1-sulfonamide?
N-(5-chloro-2,2-dimethylpentyl)-2-methylpropane-1-sulfonamide has a molecular weight of 269.84 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 106146169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).