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

C7H4Br3Cl2NO3S — CID 23535129

IUPAC1,1,1-tribromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)C(Br)(Br)Br
InChIInChI=1S/C7H4Br3Cl2NO3S/c8-7(9,10)17(15,16)13-3-1-4(11)6(14)5(12)2-3/h1-2,13-14H
InChIKeyHIUMKAUHIUAMOW-UHFFFAOYSA-N
MW492.80 g/mol
LogP4.24
Rot. Bonds2

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

1,1,1-tribromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide (PubChem CID 23535129) has the molecular formula C7H4Br3Cl2NO3S and a molecular weight of 492.80 g/mol. Its IUPAC name is 1,1,1-tribromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-tribromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide
PubChem CID23535129
Molecular FormulaC7H4Br3Cl2NO3S
Molecular Weight492.80 g/mol
Exact Mass488.68
IUPAC Name1,1,1-tribromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)C(Br)(Br)Br
InChIInChI=1S/C7H4Br3Cl2NO3S/c8-7(9,10)17(15,16)13-3-1-4(11)6(14)5(12)2-3/h1-2,13-14H
InChIKeyHIUMKAUHIUAMOW-UHFFFAOYSA-N
XLogP4.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.80
LogP ≤ 54.24
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-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide
CID 107681652
N-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521316
2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol
CID 114815573
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82885473
1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide
CID 82884315
2-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 103878560
3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82884313
2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 107681665
4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide
CID 116527677
N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 82880647
N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
CID 1137620
2,6-dichloro-4-(ethylamino)phenol
CID 82550826

Frequently Asked Questions

What is the IUPAC name of 1,1,1-tribromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide?
The IUPAC name of 1,1,1-tribromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide (CID 23535129) is 1,1,1-tribromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-tribromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide?
The canonical SMILES for 1,1,1-tribromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide is O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)C(Br)(Br)Br.
What is the InChIKey of 1,1,1-tribromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide?
The InChIKey is HIUMKAUHIUAMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br3Cl2NO3S/c8-7(9,10)17(15,16)13-3-1-4(11)6(14)5(12)2-3/h1-2,13-14H.
What are the key properties of 1,1,1-tribromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide?
1,1,1-tribromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide has a molecular weight of 492.80 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-tribromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide is sourced from PubChem (CID 23535129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).