3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide

C13H10Cl3NO3S — CID 21227266

IUPAC3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H10Cl3NO3S/c14-9-3-1-8(2-4-9)7-17-21(19,20)12-6-10(15)5-11(16)13(12)18/h1-6,17-18H,7H2
InChIKeyLGVHRSYNNTUBLN-UHFFFAOYSA-N
MW366.65 g/mol
LogP3.83
Rot. Bonds4

About 3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide

3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide (PubChem CID 21227266) has the molecular formula C13H10Cl3NO3S and a molecular weight of 366.65 g/mol. Its IUPAC name is 3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide
PubChem CID21227266
Molecular FormulaC13H10Cl3NO3S
Molecular Weight366.65 g/mol
Exact Mass364.94
IUPAC Name3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H10Cl3NO3S/c14-9-3-1-8(2-4-9)7-17-21(19,20)12-6-10(15)5-11(16)13(12)18/h1-6,17-18H,7H2
InChIKeyLGVHRSYNNTUBLN-UHFFFAOYSA-N
XLogP3.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.65
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3,5-dichloro-2-hydroxybenzenesulfonamide
CID 3867018
5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxy-2-methylquinoline-7-sulfonamide
CID 10453395
3-[[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]methyl]-N,N-dimethylbenzamide
CID 166255880
N-[(4-aminophenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43604538
N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide
CID 3842755
[4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191359
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3,5-dichloro-2-hydroxybenzenesulfonamide
CID 4524167
3,5-dichloro-N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]-2-hydroxybenzenesulfonamide
CID 146601207
2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 51888410
2-amino-5-bromo-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 60986118
5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide
CID 166396302
2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
CID 17248785

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide (CID 21227266) is 3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide is O=S(=O)(NCc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide?
The InChIKey is LGVHRSYNNTUBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NO3S/c14-9-3-1-8(2-4-9)7-17-21(19,20)12-6-10(15)5-11(16)13(12)18/h1-6,17-18H,7H2.
What are the key properties of 3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide?
3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide has a molecular weight of 366.65 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 21227266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).