1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide

C9H8Cl2N2O3S — CID 82884315

IUPAC1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C9H8Cl2N2O3S/c1-5(4-12)17(15,16)13-6-2-7(10)9(14)8(11)3-6/h2-3,5,13-14H,1H3
InChIKeyOBBBOGNFAGSBLF-UHFFFAOYSA-N
MW295.15 g/mol
LogP2.35
Rot. Bonds3

About 1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide

1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide (PubChem CID 82884315) has the molecular formula C9H8Cl2N2O3S and a molecular weight of 295.15 g/mol. Its IUPAC name is 1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide
PubChem CID82884315
Molecular FormulaC9H8Cl2N2O3S
Molecular Weight295.15 g/mol
Exact Mass293.96
IUPAC Name1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C9H8Cl2N2O3S/c1-5(4-12)17(15,16)13-6-2-7(10)9(14)8(11)3-6/h2-3,5,13-14H,1H3
InChIKeyOBBBOGNFAGSBLF-UHFFFAOYSA-N
XLogP2.35
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol
CID 114815573
1,1,1-tribromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide
CID 23535129
N-(2-chloro-4-iodophenyl)-1-cyanoethanesulfonamide
CID 107605663
1-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide
CID 107681652
1-cyano-N-(1,3-dihydro-2-benzofuran-5-yl)ethanesulfonamide
CID 114262631
3-[4-(1-cyanoethylsulfonylamino)phenyl]butanoic acid
CID 104501871
N-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521316
N-(3,4-dichlorophenyl)propane-2-sulfonamide
CID 62999267
2-chloro-N-(3,5-dichloro-4-hydroxyphenyl)propanamide
CID 107679540
N-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide
CID 58761533
1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide
CID 103098247
2-chloro-4-(propan-2-ylsulfonylamino)benzamide
CID 62997643

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide?
The IUPAC name of 1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide (CID 82884315) is 1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide.
What is the SMILES notation for 1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide?
The canonical SMILES for 1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide is CC(C#N)S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide?
The InChIKey is OBBBOGNFAGSBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O3S/c1-5(4-12)17(15,16)13-6-2-7(10)9(14)8(11)3-6/h2-3,5,13-14H,1H3.
What are the key properties of 1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide?
1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide has a molecular weight of 295.15 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3,5-dichloro-4-hydroxyphenyl)ethanesulfonamide is sourced from PubChem (CID 82884315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).