N-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide

C11H16ClNO3S — CID 81433817

IUPACN-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C11H16ClNO3S/c1-8(2)5-6-17(15,16)13-10-4-3-9(12)7-11(10)14/h3-4,7-8,13-14H,5-6H2,1-2H3
InChIKeyLZIZKCUWGLVHGS-UHFFFAOYSA-N
MW277.77 g/mol
LogP2.83
Rot. Bonds5

About N-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide

N-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide (PubChem CID 81433817) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is N-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide
PubChem CID81433817
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC NameN-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C11H16ClNO3S/c1-8(2)5-6-17(15,16)13-10-4-3-9(12)7-11(10)14/h3-4,7-8,13-14H,5-6H2,1-2H3
InChIKeyLZIZKCUWGLVHGS-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
CID 81434097
N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide
CID 82842049
4-chloro-2-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 81433365
N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbutane-1-sulfonamide
CID 106831925
N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide
CID 43114648
3-chloro-4-(3-methylbutylsulfonylamino)benzenecarbothioamide
CID 107808759
4-fluoro-3-(3-methylbutylsulfonylamino)benzoic acid
CID 63820852
2-(3-methylbutylsulfonylamino)benzenesulfonamide
CID 63821952
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylbutane-1-sulfonamide
CID 63856972
4-fluoro-2-(3-methylbutylsulfonylamino)benzenesulfonamide
CID 63855523
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-3-methylbutane-1-sulfonamide
CID 104780980
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide (CID 81433817) is N-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)Nc1ccc(Cl)cc1O.
What is the InChIKey of N-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide?
The InChIKey is LZIZKCUWGLVHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-8(2)5-6-17(15,16)13-10-4-3-9(12)7-11(10)14/h3-4,7-8,13-14H,5-6H2,1-2H3.
What are the key properties of N-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide?
N-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide has a molecular weight of 277.77 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 81433817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).