3-chloro-2-methyl-N-(4-propan-2-yloxybutyl)propane-1-sulfonamide

C11H24ClNO3S — CID 106014455

IUPAC3-chloro-2-methyl-N-(4-propan-2-yloxybutyl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NCCCCOC(C)C
InChIInChI=1S/C11H24ClNO3S/c1-10(2)16-7-5-4-6-13-17(14,15)9-11(3)8-12/h10-11,13H,4-9H2,1-3H3
InChIKeyZJITVWQLGHQXNQ-UHFFFAOYSA-N
MW285.84 g/mol
LogP1.99
Rot. Bonds10

About 3-chloro-2-methyl-N-(4-propan-2-yloxybutyl)propane-1-sulfonamide

3-chloro-2-methyl-N-(4-propan-2-yloxybutyl)propane-1-sulfonamide (PubChem CID 106014455) has the molecular formula C11H24ClNO3S and a molecular weight of 285.84 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(4-propan-2-yloxybutyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(4-propan-2-yloxybutyl)propane-1-sulfonamide
PubChem CID106014455
Molecular FormulaC11H24ClNO3S
Molecular Weight285.84 g/mol
Exact Mass285.12
IUPAC Name3-chloro-2-methyl-N-(4-propan-2-yloxybutyl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NCCCCOC(C)C
InChIInChI=1S/C11H24ClNO3S/c1-10(2)16-7-5-4-6-13-17(14,15)9-11(3)8-12/h10-11,13H,4-9H2,1-3H3
InChIKeyZJITVWQLGHQXNQ-UHFFFAOYSA-N
XLogP1.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-chloro-N-(2-ethoxyethyl)-2-methylpropane-1-sulfonamide
CID 79580630
N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide
CID 107322763
3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide
CID 79588548
1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide
CID 106013582
N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide
CID 106158927
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645
3-chloro-2-methyl-N-(2-phenylethyl)propane-1-sulfonamide
CID 79585541
5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
CID 79594453
3-chloro-N,2-dimethyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide
CID 81061526
azane;1-propan-2-yloxydodecane;sulfuric acid
CID 175080413
N-(2-ethylsulfonylethyl)-4-propan-2-yloxybutan-1-amine
CID 106010216
3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide
CID 83146748

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(4-propan-2-yloxybutyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(4-propan-2-yloxybutyl)propane-1-sulfonamide (CID 106014455) is 3-chloro-2-methyl-N-(4-propan-2-yloxybutyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(4-propan-2-yloxybutyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(4-propan-2-yloxybutyl)propane-1-sulfonamide is CC(CCl)CS(=O)(=O)NCCCCOC(C)C.
What is the InChIKey of 3-chloro-2-methyl-N-(4-propan-2-yloxybutyl)propane-1-sulfonamide?
The InChIKey is ZJITVWQLGHQXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO3S/c1-10(2)16-7-5-4-6-13-17(14,15)9-11(3)8-12/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 3-chloro-2-methyl-N-(4-propan-2-yloxybutyl)propane-1-sulfonamide?
3-chloro-2-methyl-N-(4-propan-2-yloxybutyl)propane-1-sulfonamide has a molecular weight of 285.84 g/mol, XLogP of 1.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(4-propan-2-yloxybutyl)propane-1-sulfonamide is sourced from PubChem (CID 106014455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).