N-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide

C11H16ClNO3S — CID 65033930

IUPACN-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide
SMILESCCC(CCl)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H16ClNO3S/c1-3-9(8-12)13-17(14,15)11-6-4-10(16-2)5-7-11/h4-7,9,13H,3,8H2,1-2H3
InChIKeyUCVRYLIUYOBXLR-UHFFFAOYSA-N
MW277.77 g/mol
LogP1.99
Rot. Bonds6

About N-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide

N-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 65033930) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is N-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide
PubChem CID65033930
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC NameN-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide
SMILESCCC(CCl)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H16ClNO3S/c1-3-9(8-12)13-17(14,15)11-6-4-10(16-2)5-7-11/h4-7,9,13H,3,8H2,1-2H3
InChIKeyUCVRYLIUYOBXLR-UHFFFAOYSA-N
XLogP1.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyanobutan-2-yl)-4-methoxybenzenesulfonamide
CID 62647776
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]pentyl]benzenesulfonamide
CID 3409975
N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
CID 65031277
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine
CID 64647341
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321
N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide
CID 848381
N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide
CID 114294306
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29273537

Frequently Asked Questions

What is the IUPAC name of N-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide (CID 65033930) is N-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide is CCC(CCl)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is UCVRYLIUYOBXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-3-9(8-12)13-17(14,15)11-6-4-10(16-2)5-7-11/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of N-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide?
N-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 65033930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).