2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide

C22H20ClN3O5S — CID 26796718

IUPAC2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C22H20ClN3O5S/c1-16-20(8-5-9-21(16)26(28)29)24-22(27)15-25(14-17-6-3-2-4-7-17)32(30,31)19-12-10-18(23)11-13-19/h2-13H,14-15H2,1H3,(H,24,27)
InChIKeyIISNAFNOOHKYGA-UHFFFAOYSA-N
MW473.94 g/mol
LogP4.39
Rot. Bonds8

About 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide

2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 26796718) has the molecular formula C22H20ClN3O5S and a molecular weight of 473.94 g/mol. Its IUPAC name is 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID26796718
Molecular FormulaC22H20ClN3O5S
Molecular Weight473.94 g/mol
Exact Mass473.08
IUPAC Name2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C22H20ClN3O5S/c1-16-20(8-5-9-21(16)26(28)29)24-22(27)15-25(14-17-6-3-2-4-7-17)32(30,31)19-12-10-18(23)11-13-19/h2-13H,14-15H2,1H3,(H,24,27)
InChIKeyIISNAFNOOHKYGA-UHFFFAOYSA-N
XLogP4.39
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.94
LogP ≤ 54.39
H-Bond Donors ≤ 51
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-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 1250133
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 23737822
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1334909
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide
CID 126062385
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(2,3-dichlorophenyl)acetamide
CID 4609360
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)acetamide
CID 1119922
3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 2547725
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 126392772
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 22781566
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2226538
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 21380353
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2290702

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide (CID 26796718) is 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide is Cc1c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is IISNAFNOOHKYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O5S/c1-16-20(8-5-9-21(16)26(28)29)24-22(27)15-25(14-17-6-3-2-4-7-17)32(30,31)19-12-10-18(23)11-13-19/h2-13H,14-15H2,1H3,(H,24,27).
What are the key properties of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide?
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 473.94 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 26796718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).