N-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide

C19H16ClNO3S — CID 54532776

IUPACN-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1cc(Cl)ccc1O)c1ccccc1
InChIInChI=1S/C19H16ClNO3S/c20-16-11-12-19(22)15(13-16)14-21(17-7-3-1-4-8-17)25(23,24)18-9-5-2-6-10-18/h1-13,22H,14H2
InChIKeyYXRQOEZVOQXWIC-UHFFFAOYSA-N
MW373.86 g/mol
LogP4.44
Rot. Bonds5

About N-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide

N-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide (PubChem CID 54532776) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is N-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide
PubChem CID54532776
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC NameN-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1cc(Cl)ccc1O)c1ccccc1
InChIInChI=1S/C19H16ClNO3S/c20-16-11-12-19(22)15(13-16)14-21(17-7-3-1-4-8-17)25(23,24)18-9-5-2-6-10-18/h1-13,22H,14H2
InChIKeyYXRQOEZVOQXWIC-UHFFFAOYSA-N
XLogP4.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 46152460
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 42841577
N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide
CID 967232
N-[(2,4-dichlorophenyl)methyl]-N-(3-methylphenyl)benzenesulfonamide
CID 3688793
N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 42841931
N-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)benzenesulfonamide
CID 46152488
3-[N-(benzenesulfonyl)-4-chloroanilino]propanoic acid
CID 50890227
N-[(2,4-dichlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3597205
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51343291
N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 46022862
N-benzyl-4-chloro-3-(dihydroxymethyl)-N-phenylbenzenesulfonamide
CID 90688111
N-benzyl-N-(3-bromophenyl)-4-chlorobenzenesulfonamide
CID 46021781

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide?
The IUPAC name of N-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide (CID 54532776) is N-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1cc(Cl)ccc1O)c1ccccc1.
What is the InChIKey of N-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide?
The InChIKey is YXRQOEZVOQXWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c20-16-11-12-19(22)15(13-16)14-21(17-7-3-1-4-8-17)25(23,24)18-9-5-2-6-10-18/h1-13,22H,14H2.
What are the key properties of N-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide?
N-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide has a molecular weight of 373.86 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 54532776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).