4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]benzamide

C15H15N3O5S — CID 26487023

IUPAC4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]benzamide
SMILESCc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c1C
InChIInChI=1S/C15H15N3O5S/c1-9-7-13(18(20)21)8-14(10(9)2)24(22,23)17-12-5-3-11(4-6-12)15(16)19/h3-8,17H,1-2H3,(H2,16,19)
InChIKeySHLVOYVTBFLFLZ-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.11
Rot. Bonds5

About 4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]benzamide

4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]benzamide (PubChem CID 26487023) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]benzamide
PubChem CID26487023
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]benzamide
SMILESCc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c1C
InChIInChI=1S/C15H15N3O5S/c1-9-7-13(18(20)21)8-14(10(9)2)24(22,23)17-12-5-3-11(4-6-12)15(16)19/h3-8,17H,1-2H3,(H2,16,19)
InChIKeySHLVOYVTBFLFLZ-UHFFFAOYSA-N
XLogP2.11
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2,3-dimethyl-5-nitro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 24510066
N-[4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]phenyl]-2-methoxyacetamide
CID 35542103
3,4-dimethyl-5-[(3-nitrophenyl)sulfamoyl]benzoic acid
CID 886334
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 26488410
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 35544176
2,3-dimethyl-5-nitro-N-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
CID 87008464
N,2,3-trimethyl-5-nitrobenzenesulfonamide
CID 26527022
4-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide
CID 60532889
N-(4-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2920673
2,3-dimethyl-5-nitro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzenesulfonamide
CID 26487300
N-tert-butyl-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 17410019
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of 4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]benzamide (CID 26487023) is 4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for 4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for 4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]benzamide is Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c1C.
What is the InChIKey of 4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is SHLVOYVTBFLFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-9-7-13(18(20)21)8-14(10(9)2)24(22,23)17-12-5-3-11(4-6-12)15(16)19/h3-8,17H,1-2H3,(H2,16,19).
What are the key properties of 4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]benzamide?
4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 349.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 26487023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).