3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)propane-1-sulfonamide

C11H16ClNO3S — CID 54877724

IUPAC3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)propane-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)CCCCl)c(C)c1O
InChIInChI=1S/C11H16ClNO3S/c1-8-4-5-10(9(2)11(8)14)13-17(15,16)7-3-6-12/h4-5,13-14H,3,6-7H2,1-2H3
InChIKeyGCHHEKKNAQSLSP-UHFFFAOYSA-N
MW277.77 g/mol
LogP2.38
Rot. Bonds5

About 3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)propane-1-sulfonamide

3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)propane-1-sulfonamide (PubChem CID 54877724) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)propane-1-sulfonamide
PubChem CID54877724
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)propane-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)CCCCl)c(C)c1O
InChIInChI=1S/C11H16ClNO3S/c1-8-4-5-10(9(2)11(8)14)13-17(15,16)7-3-6-12/h4-5,13-14H,3,6-7H2,1-2H3
InChIKeyGCHHEKKNAQSLSP-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)propane-1-sulfonamide (CID 54877724) is 3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)propane-1-sulfonamide is Cc1ccc(NS(=O)(=O)CCCCl)c(C)c1O.
What is the InChIKey of 3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)propane-1-sulfonamide?
The InChIKey is GCHHEKKNAQSLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-8-4-5-10(9(2)11(8)14)13-17(15,16)7-3-6-12/h4-5,13-14H,3,6-7H2,1-2H3.
What are the key properties of 3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)propane-1-sulfonamide?
3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)propane-1-sulfonamide has a molecular weight of 277.77 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 54877724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).