3,5-dichloro-N-(3-cyano-4-propan-2-yloxyphenyl)-2-hydroxybenzenesulfonamide

C16H14Cl2N2O4S — CID 167899475

IUPAC3,5-dichloro-N-(3-cyano-4-propan-2-yloxyphenyl)-2-hydroxybenzenesulfonamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1C#N
InChIInChI=1S/C16H14Cl2N2O4S/c1-9(2)24-14-4-3-12(5-10(14)8-19)20-25(22,23)15-7-11(17)6-13(18)16(15)21/h3-7,9,20-21H,1-2H3
InChIKeyCSBILONDNQGMCG-UHFFFAOYSA-N
MW401.27 g/mol
LogP4.16
Rot. Bonds5

About 3,5-dichloro-N-(3-cyano-4-propan-2-yloxyphenyl)-2-hydroxybenzenesulfonamide

3,5-dichloro-N-(3-cyano-4-propan-2-yloxyphenyl)-2-hydroxybenzenesulfonamide (PubChem CID 167899475) has the molecular formula C16H14Cl2N2O4S and a molecular weight of 401.27 g/mol. Its IUPAC name is 3,5-dichloro-N-(3-cyano-4-propan-2-yloxyphenyl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(3-cyano-4-propan-2-yloxyphenyl)-2-hydroxybenzenesulfonamide
PubChem CID167899475
Molecular FormulaC16H14Cl2N2O4S
Molecular Weight401.27 g/mol
Exact Mass400.01
IUPAC Name3,5-dichloro-N-(3-cyano-4-propan-2-yloxyphenyl)-2-hydroxybenzenesulfonamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1C#N
InChIInChI=1S/C16H14Cl2N2O4S/c1-9(2)24-14-4-3-12(5-10(14)8-19)20-25(22,23)15-7-11(17)6-13(18)16(15)21/h3-7,9,20-21H,1-2H3
InChIKeyCSBILONDNQGMCG-UHFFFAOYSA-N
XLogP4.16
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.27
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyano-4-propan-2-yloxyphenyl)formamide
CID 169157316
N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 25036035
3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide
CID 74227839
3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide
CID 3751185
3,5-dichloro-2-hydroxy-N-(1-propan-2-ylindazol-5-yl)benzenesulfonamide
CID 146600973
5-(4-chlorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684056
3,5-dichloro-2-hydroxy-N-[4-[(E)-3-oxobut-1-enyl]phenyl]benzenesulfonamide
CID 69281379
N-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide
CID 63000379
N-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide
CID 43604886
2-[(3-cyano-4-propan-2-yloxyphenyl)carbamoyl]benzoic acid
CID 85471400
N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758195
5-chloro-4-[(4-cyano-3-iodophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 167830599

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(3-cyano-4-propan-2-yloxyphenyl)-2-hydroxybenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(3-cyano-4-propan-2-yloxyphenyl)-2-hydroxybenzenesulfonamide (CID 167899475) is 3,5-dichloro-N-(3-cyano-4-propan-2-yloxyphenyl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(3-cyano-4-propan-2-yloxyphenyl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(3-cyano-4-propan-2-yloxyphenyl)-2-hydroxybenzenesulfonamide is CC(C)Oc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1C#N.
What is the InChIKey of 3,5-dichloro-N-(3-cyano-4-propan-2-yloxyphenyl)-2-hydroxybenzenesulfonamide?
The InChIKey is CSBILONDNQGMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O4S/c1-9(2)24-14-4-3-12(5-10(14)8-19)20-25(22,23)15-7-11(17)6-13(18)16(15)21/h3-7,9,20-21H,1-2H3.
What are the key properties of 3,5-dichloro-N-(3-cyano-4-propan-2-yloxyphenyl)-2-hydroxybenzenesulfonamide?
3,5-dichloro-N-(3-cyano-4-propan-2-yloxyphenyl)-2-hydroxybenzenesulfonamide has a molecular weight of 401.27 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(3-cyano-4-propan-2-yloxyphenyl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 167899475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).