3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide

C15H12Cl2N2O3S — CID 4987406

IUPAC3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide
SMILESN#CCCN(c1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H12Cl2N2O3S/c16-11-9-13(17)15(20)14(10-11)23(21,22)19(8-4-7-18)12-5-2-1-3-6-12/h1-3,5-6,9-10,20H,4,8H2
InChIKeyGVLYVCSPQNCXRI-UHFFFAOYSA-N
MW371.25 g/mol
LogP3.81
Rot. Bonds5

About 3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide

3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide (PubChem CID 4987406) has the molecular formula C15H12Cl2N2O3S and a molecular weight of 371.25 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide
PubChem CID4987406
Molecular FormulaC15H12Cl2N2O3S
Molecular Weight371.25 g/mol
Exact Mass369.99
IUPAC Name3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide
SMILESN#CCCN(c1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H12Cl2N2O3S/c16-11-9-13(17)15(20)14(10-11)23(21,22)19(8-4-7-18)12-5-2-1-3-6-12/h1-3,5-6,9-10,20H,4,8H2
InChIKeyGVLYVCSPQNCXRI-UHFFFAOYSA-N
XLogP3.81
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.25
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[2-cyanoethyl-(3-methylphenyl)sulfamoyl]benzoic acid
CID 167956747
N-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60910953
N-(2-cyanoethyl)-4-iodo-N-phenylbenzenesulfonamide
CID 3721933
2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide
CID 43455903
3,5-dichloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
CID 3261239
3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide
CID 4985281
N-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide
CID 103847451
N-(1,3-benzodioxol-5-yl)-3,5-dichloro-N-ethyl-2-hydroxybenzenesulfonamide
CID 3875916
N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide
CID 29032011
2-(N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50889600
2,5-dichloro-3-[2-cyanoethyl(ethyl)sulfamoyl]benzoic acid
CID 60950771
N-butyl-2,4-dichloro-5-methyl-N-phenylbenzenesulfonamide
CID 3856862

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide (CID 4987406) is 3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide is N#CCCN(c1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide?
The InChIKey is GVLYVCSPQNCXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3S/c16-11-9-13(17)15(20)14(10-11)23(21,22)19(8-4-7-18)12-5-2-1-3-6-12/h1-3,5-6,9-10,20H,4,8H2.
What are the key properties of 3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide?
3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide has a molecular weight of 371.25 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 4987406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).