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

C7H8ClNO3S — CID 63666171

IUPAC1-chloro-N-(4-hydroxyphenyl)methanesulfonamide
SMILESO=S(=O)(CCl)Nc1ccc(O)cc1
InChIInChI=1S/C7H8ClNO3S/c8-5-13(11,12)9-6-1-3-7(10)4-2-6/h1-4,9-10H,5H2
InChIKeyHCKOHSCYQRGWAF-UHFFFAOYSA-N
MW221.66 g/mol
LogP1.33
Rot. Bonds3

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

1-chloro-N-(4-hydroxyphenyl)methanesulfonamide (PubChem CID 63666171) has the molecular formula C7H8ClNO3S and a molecular weight of 221.66 g/mol. Its IUPAC name is 1-chloro-N-(4-hydroxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(4-hydroxyphenyl)methanesulfonamide
PubChem CID63666171
Molecular FormulaC7H8ClNO3S
Molecular Weight221.66 g/mol
Exact Mass220.99
IUPAC Name1-chloro-N-(4-hydroxyphenyl)methanesulfonamide
SMILESO=S(=O)(CCl)Nc1ccc(O)cc1
InChIInChI=1S/C7H8ClNO3S/c8-5-13(11,12)9-6-1-3-7(10)4-2-6/h1-4,9-10H,5H2
InChIKeyHCKOHSCYQRGWAF-UHFFFAOYSA-N
XLogP1.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 51.33
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

1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide
CID 163924454
[4-(chloromethylsulfonylamino)phenyl]urea
CID 63666209
3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
CID 79585459
1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide
CID 64782624
[4-(chloromethylsulfonylamino)phenyl]methanesulfonamide
CID 63666418
ethyl N-[4-(chloromethylsulfonylamino)phenyl]carbamate
CID 55245640
1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 63666007
1-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 63665538
1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 54546818
1-chloro-N-(3-iodophenyl)methanesulfonamide
CID 63664275
3-[4-(chloromethylsulfonylamino)phenoxy]propanamide
CID 63666821
1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide
CID 63664967

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(4-hydroxyphenyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(4-hydroxyphenyl)methanesulfonamide (CID 63666171) is 1-chloro-N-(4-hydroxyphenyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(4-hydroxyphenyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(4-hydroxyphenyl)methanesulfonamide is O=S(=O)(CCl)Nc1ccc(O)cc1.
What is the InChIKey of 1-chloro-N-(4-hydroxyphenyl)methanesulfonamide?
The InChIKey is HCKOHSCYQRGWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO3S/c8-5-13(11,12)9-6-1-3-7(10)4-2-6/h1-4,9-10H,5H2.
What are the key properties of 1-chloro-N-(4-hydroxyphenyl)methanesulfonamide?
1-chloro-N-(4-hydroxyphenyl)methanesulfonamide has a molecular weight of 221.66 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(4-hydroxyphenyl)methanesulfonamide is sourced from PubChem (CID 63666171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).