1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide

C7H7ClFNO3S — CID 64782624

IUPAC1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide
SMILESO=S(=O)(CCl)Nc1ccc(O)c(F)c1
InChIInChI=1S/C7H7ClFNO3S/c8-4-14(12,13)10-5-1-2-7(11)6(9)3-5/h1-3,10-11H,4H2
InChIKeyRDFQCMXHZZDHQP-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.47
Rot. Bonds3

About 1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide

1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide (PubChem CID 64782624) has the molecular formula C7H7ClFNO3S and a molecular weight of 239.66 g/mol. Its IUPAC name is 1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide
PubChem CID64782624
Molecular FormulaC7H7ClFNO3S
Molecular Weight239.66 g/mol
Exact Mass238.98
IUPAC Name1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide
SMILESO=S(=O)(CCl)Nc1ccc(O)c(F)c1
InChIInChI=1S/C7H7ClFNO3S/c8-4-14(12,13)10-5-1-2-7(11)6(9)3-5/h1-3,10-11H,4H2
InChIKeyRDFQCMXHZZDHQP-UHFFFAOYSA-N
XLogP1.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide
CID 116816251
1-chloro-N-(4-hydroxyphenyl)methanesulfonamide
CID 63666171
N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide
CID 64781842
1-chloro-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide
CID 55244680
4-(chloroamino)-2-fluorophenol
CID 88896365
1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide
CID 163924454
N-(4-bromo-3-chloro-5-fluorophenyl)-1-chloromethanesulfonamide
CID 130543020
4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 65480451
2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide
CID 64781655
4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327223
5,6-dichloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 64782411
1-chloro-N-(3-chloro-4-methylphenyl)methanesulfonamide
CID 63665096

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide (CID 64782624) is 1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide is O=S(=O)(CCl)Nc1ccc(O)c(F)c1.
What is the InChIKey of 1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide?
The InChIKey is RDFQCMXHZZDHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO3S/c8-4-14(12,13)10-5-1-2-7(11)6(9)3-5/h1-3,10-11H,4H2.
What are the key properties of 1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide?
1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide has a molecular weight of 239.66 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide is sourced from PubChem (CID 64782624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).