1-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide

C7H6BrCl2NO3S — CID 107681652

IUPAC1-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide
SMILESO=S(=O)(CBr)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C7H6BrCl2NO3S/c8-3-15(13,14)11-4-1-5(9)7(12)6(10)2-4/h1-2,11-12H,3H2
InChIKeyHSMVBNLNKFDFNF-UHFFFAOYSA-N
MW335.01 g/mol
LogP2.79
Rot. Bonds3

About 1-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide

1-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide (PubChem CID 107681652) has the molecular formula C7H6BrCl2NO3S and a molecular weight of 335.01 g/mol. Its IUPAC name is 1-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide
PubChem CID107681652
Molecular FormulaC7H6BrCl2NO3S
Molecular Weight335.01 g/mol
Exact Mass332.86
IUPAC Name1-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide
SMILESO=S(=O)(CBr)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C7H6BrCl2NO3S/c8-3-15(13,14)11-4-1-5(9)7(12)6(10)2-4/h1-2,11-12H,3H2
InChIKeyHSMVBNLNKFDFNF-UHFFFAOYSA-N
XLogP2.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.01
LogP ≤ 52.79
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

1,1,1-tribromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide
CID 23535129
N-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521316
1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide
CID 83086658
1-bromo-N-(3-chloro-4-cyanophenyl)methanesulfonamide
CID 83084506
2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol
CID 114815573
1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide
CID 83084493
2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 107681665
3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82884313
1-bromo-N-(2,6-dichlorophenyl)methanesulfonamide
CID 83083816
1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide
CID 82884315
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82885473
1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide
CID 104727985

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide (CID 107681652) is 1-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide is O=S(=O)(CBr)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 1-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide?
The InChIKey is HSMVBNLNKFDFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrCl2NO3S/c8-3-15(13,14)11-4-1-5(9)7(12)6(10)2-4/h1-2,11-12H,3H2.
What are the key properties of 1-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide?
1-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide has a molecular weight of 335.01 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide is sourced from PubChem (CID 107681652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).