2-[benzenesulfonyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide

C16H17N3O6S — CID 2964889

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H17N3O6S/c1-18(26(23,24)13-6-4-3-5-7-13)11-16(20)17-14-9-8-12(25-2)10-15(14)19(21)22/h3-10H,11H2,1-2H3,(H,17,20)
InChIKeyNLDQUQQTYRUULY-UHFFFAOYSA-N
MW379.39 g/mol
LogP1.86
Rot. Bonds7

About 2-[benzenesulfonyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide

2-[benzenesulfonyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 2964889) has the molecular formula C16H17N3O6S and a molecular weight of 379.39 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID2964889
Molecular FormulaC16H17N3O6S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H17N3O6S/c1-18(26(23,24)13-6-4-3-5-7-13)11-16(20)17-14-9-8-12(25-2)10-15(14)19(21)22/h3-10H,11H2,1-2H3,(H,17,20)
InChIKeyNLDQUQQTYRUULY-UHFFFAOYSA-N
XLogP1.86
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide (CID 2964889) is 2-[benzenesulfonyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is NLDQUQQTYRUULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6S/c1-18(26(23,24)13-6-4-3-5-7-13)11-16(20)17-14-9-8-12(25-2)10-15(14)19(21)22/h3-10H,11H2,1-2H3,(H,17,20).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide?
2-[benzenesulfonyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 379.39 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 2964889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).