N-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide

C12H17Cl2NO3S — CID 103521316

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO3S/c1-12(2,3)4-5-19(17,18)15-8-6-9(13)11(16)10(14)7-8/h6-7,15-16H,4-5H2,1-3H3
InChIKeyGGJZVPHEDJGFOJ-UHFFFAOYSA-N
MW326.25 g/mol
LogP3.88
Rot. Bonds4

About N-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide

N-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521316) has the molecular formula C12H17Cl2NO3S and a molecular weight of 326.25 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521316
Molecular FormulaC12H17Cl2NO3S
Molecular Weight326.25 g/mol
Exact Mass325.03
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO3S/c1-12(2,3)4-5-19(17,18)15-8-6-9(13)11(16)10(14)7-8/h6-7,15-16H,4-5H2,1-3H3
InChIKeyGGJZVPHEDJGFOJ-UHFFFAOYSA-N
XLogP3.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', '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
1,1,1-tribromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide
CID 23535129
N-[4-(chloromethyl)phenyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521723
2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol
CID 114815573
N-(4-formylphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 106912861
N-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103521261
3-(3,3-dimethylbutylsulfonylamino)benzenesulfonamide
CID 103727879
N-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103727884
N-(5-chloropyrazin-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 107596051
3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide
CID 103521428
2,6-dichloro-4-(ethylamino)phenol
CID 82550826
1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide
CID 82884315

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide (CID 103521316) is N-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is GGJZVPHEDJGFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO3S/c1-12(2,3)4-5-19(17,18)15-8-6-9(13)11(16)10(14)7-8/h6-7,15-16H,4-5H2,1-3H3.
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide?
N-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 326.25 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).