2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol

C10H14Cl2N2O3S — CID 114815573

IUPAC2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol
SMILESCC(C)CNS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O3S/c1-6(2)5-13-18(16,17)14-7-3-8(11)10(15)9(12)4-7/h3-4,6,13-15H,5H2,1-2H3
InChIKeyGKDGZTXOESYRIL-UHFFFAOYSA-N
MW313.21 g/mol
LogP2.60
Rot. Bonds5

About 2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol

2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol (PubChem CID 114815573) has the molecular formula C10H14Cl2N2O3S and a molecular weight of 313.21 g/mol. Its IUPAC name is 2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol.

Molecular Properties

Compound Name2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol
PubChem CID114815573
Molecular FormulaC10H14Cl2N2O3S
Molecular Weight313.21 g/mol
Exact Mass312.01
IUPAC Name2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol
SMILESCC(C)CNS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O3S/c1-6(2)5-13-18(16,17)14-7-3-8(11)10(15)9(12)4-7/h3-4,6,13-15H,5H2,1-2H3
InChIKeyGKDGZTXOESYRIL-UHFFFAOYSA-N
XLogP2.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 52.60
H-Bond Donors ≤ 53
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
1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide
CID 82884315
N-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521316
3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline
CID 114814952
3-bromo-N-(2-methylpropylsulfamoyl)aniline
CID 114815403
3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
CID 114814004
2-chloro-4-(ethylsulfamoylamino)phenol
CID 114809196
5-(2-methylpropylsulfamoylamino)pyridine-3-carboxylic acid
CID 114814582
4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline
CID 114815397
3-amino-4-(2-methylpropylsulfamoylamino)phenol
CID 107697833
4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline
CID 114813837

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol?
The IUPAC name of 2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol (CID 114815573) is 2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol.
What is the SMILES notation for 2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol?
The canonical SMILES for 2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol is CC(C)CNS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol?
The InChIKey is GKDGZTXOESYRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O3S/c1-6(2)5-13-18(16,17)14-7-3-8(11)10(15)9(12)4-7/h3-4,6,13-15H,5H2,1-2H3.
What are the key properties of 2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol?
2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol has a molecular weight of 313.21 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol is sourced from PubChem (CID 114815573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).