4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide

C11H16ClNO3S — CID 69020554

IUPAC4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1ccc(CCl)cc1
InChIInChI=1S/C11H16ClNO3S/c1-11(2,14)8-13-17(15,16)10-5-3-9(7-12)4-6-10/h3-6,13-14H,7-8H2,1-2H3
InChIKeyLTGDHTXXHKSMRW-UHFFFAOYSA-N
MW277.77 g/mol
LogP1.47
Rot. Bonds5

About 4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide

4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide (PubChem CID 69020554) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
PubChem CID69020554
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1ccc(CCl)cc1
InChIInChI=1S/C11H16ClNO3S/c1-11(2,14)8-13-17(15,16)10-5-3-9(7-12)4-6-10/h3-6,13-14H,7-8H2,1-2H3
InChIKeyLTGDHTXXHKSMRW-UHFFFAOYSA-N
XLogP1.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 65112797
N-(2-hydroxy-2-methylpropyl)-4-nitrobenzenesulfonamide
CID 65113024
methyl 4-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 65113818
3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 106546244
2-chloro-N-(2-hydroxy-2-methylpropyl)pyrimidine-5-sulfonamide
CID 65107231
4-chloro-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 65113160
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-ethylbenzenesulfonamide
CID 110291567
N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide
CID 65112900
3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65104000
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65113165
N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65112756
4-(bromomethyl)-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66171878

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide (CID 69020554) is 4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide is CC(C)(O)CNS(=O)(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is LTGDHTXXHKSMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-11(2,14)8-13-17(15,16)10-5-3-9(7-12)4-6-10/h3-6,13-14H,7-8H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 69020554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).