3-(5-chloro-2-hydroxy-3-nitrophenyl)-N-methylsulfonylbenzamide

C14H11ClN2O6S — CID 21072446

IUPAC3-(5-chloro-2-hydroxy-3-nitrophenyl)-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cccc(-c2cc(Cl)cc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C14H11ClN2O6S/c1-24(22,23)16-14(19)9-4-2-3-8(5-9)11-6-10(15)7-12(13(11)18)17(20)21/h2-7,18H,1H3,(H,16,19)
InChIKeyFORFSDTUTGGNNI-UHFFFAOYSA-N
MW370.77 g/mol
LogP2.31
Rot. Bonds4

About 3-(5-chloro-2-hydroxy-3-nitrophenyl)-N-methylsulfonylbenzamide

3-(5-chloro-2-hydroxy-3-nitrophenyl)-N-methylsulfonylbenzamide (PubChem CID 21072446) has the molecular formula C14H11ClN2O6S and a molecular weight of 370.77 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxy-3-nitrophenyl)-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxy-3-nitrophenyl)-N-methylsulfonylbenzamide
PubChem CID21072446
Molecular FormulaC14H11ClN2O6S
Molecular Weight370.77 g/mol
Exact Mass370.00
IUPAC Name3-(5-chloro-2-hydroxy-3-nitrophenyl)-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cccc(-c2cc(Cl)cc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C14H11ClN2O6S/c1-24(22,23)16-14(19)9-4-2-3-8(5-9)11-6-10(15)7-12(13(11)18)17(20)21/h2-7,18H,1H3,(H,16,19)
InChIKeyFORFSDTUTGGNNI-UHFFFAOYSA-N
XLogP2.31
TPSA126.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.77
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-methylsulfonyl-3-nitrobenzamide
CID 153492334
N-[3-(2-hydroxy-3-nitrophenyl)phenyl]methanesulfonamide
CID 69009901
5-(5-chloro-2-hydroxy-3-nitrophenyl)pyridine-3-carboxylic acid
CID 21072403
3-chloro-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135784566
3-(5-chloro-3-nitro-2-phenylmethoxyphenyl)benzoic acid;ethane
CID 144892144
N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide
CID 5186191
3-acetamido-N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 171136007
N-[4-[(3-chlorobenzoyl)amino]phenyl]-4-methyl-3-nitrobenzamide
CID 3765376
3-methyl-N-methylsulfonylbenzamide
CID 18331681
N-methylsulfonyl-3,5-dinitrobenzamide
CID 90139670
3-(3-amino-5-chloro-2-hydroxyphenyl)benzoic acid
CID 21072314
3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide
CID 39265881

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxy-3-nitrophenyl)-N-methylsulfonylbenzamide?
The IUPAC name of 3-(5-chloro-2-hydroxy-3-nitrophenyl)-N-methylsulfonylbenzamide (CID 21072446) is 3-(5-chloro-2-hydroxy-3-nitrophenyl)-N-methylsulfonylbenzamide.
What is the SMILES notation for 3-(5-chloro-2-hydroxy-3-nitrophenyl)-N-methylsulfonylbenzamide?
The canonical SMILES for 3-(5-chloro-2-hydroxy-3-nitrophenyl)-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cccc(-c2cc(Cl)cc([N+](=O)[O-])c2O)c1.
What is the InChIKey of 3-(5-chloro-2-hydroxy-3-nitrophenyl)-N-methylsulfonylbenzamide?
The InChIKey is FORFSDTUTGGNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O6S/c1-24(22,23)16-14(19)9-4-2-3-8(5-9)11-6-10(15)7-12(13(11)18)17(20)21/h2-7,18H,1H3,(H,16,19).
What are the key properties of 3-(5-chloro-2-hydroxy-3-nitrophenyl)-N-methylsulfonylbenzamide?
3-(5-chloro-2-hydroxy-3-nitrophenyl)-N-methylsulfonylbenzamide has a molecular weight of 370.77 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxy-3-nitrophenyl)-N-methylsulfonylbenzamide is sourced from PubChem (CID 21072446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).