N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide

C21H19N3O6S2 — CID 5138478

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C21H19N3O6S2/c1-30-20-8-3-2-7-19(20)23-32(28,29)18-6-4-5-15(13-18)22-21(25)14-31-17-11-9-16(10-12-17)24(26)27/h2-13,23H,14H2,1H3,(H,22,25)
InChIKeyFNXJQCLOKAWHLN-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.14
Rot. Bonds9

About N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide

N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide (PubChem CID 5138478) has the molecular formula C21H19N3O6S2 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide
PubChem CID5138478
Molecular FormulaC21H19N3O6S2
Molecular Weight473.53 g/mol
Exact Mass473.07
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C21H19N3O6S2/c1-30-20-8-3-2-7-19(20)23-32(28,29)18-6-4-5-15(13-18)22-21(25)14-31-17-11-9-16(10-12-17)24(26)27/h2-13,23H,14H2,1H3,(H,22,25)
InChIKeyFNXJQCLOKAWHLN-UHFFFAOYSA-N
XLogP4.14
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 4593253
N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 4689194
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
N-(3-cyclopentylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 39209515
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 46809343
N-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 24529878
N-(3-bromophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 8713877
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 9414168
2-(2-methoxy-5-nitroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4854756
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 42969801
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 137353894
N-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 47047335

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide (CID 5138478) is N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide is COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide?
The InChIKey is FNXJQCLOKAWHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6S2/c1-30-20-8-3-2-7-19(20)23-32(28,29)18-6-4-5-15(13-18)22-21(25)14-31-17-11-9-16(10-12-17)24(26)27/h2-13,23H,14H2,1H3,(H,22,25).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide has a molecular weight of 473.53 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide is sourced from PubChem (CID 5138478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).