2-(4-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide

C14H13N3O5S2 — CID 4593253

IUPAC2-(4-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H13N3O5S2/c15-24(21,22)13-3-1-2-10(8-13)16-14(18)9-23-12-6-4-11(5-7-12)17(19)20/h1-8H,9H2,(H,16,18)(H2,15,21,22)
InChIKeyXQLSSPACIQRDAL-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.97
Rot. Bonds6

About 2-(4-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide

2-(4-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide (PubChem CID 4593253) has the molecular formula C14H13N3O5S2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(4-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
PubChem CID4593253
Molecular FormulaC14H13N3O5S2
Molecular Weight367.41 g/mol
Exact Mass367.03
IUPAC Name2-(4-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H13N3O5S2/c15-24(21,22)13-3-1-2-10(8-13)16-14(18)9-23-12-6-4-11(5-7-12)17(19)20/h1-8H,9H2,(H,16,18)(H2,15,21,22)
InChIKeyXQLSSPACIQRDAL-UHFFFAOYSA-N
XLogP1.97
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.97
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

N-(3-cyclopentylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 39209515
N-(3-bromophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 8713877
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 5138478
3-nitro-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide
CID 18905095
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 61032368
N-[4-(4-nitrophenyl)sulfanylphenyl]-2-phenylsulfanylacetamide
CID 1317844
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 9107095
2-(7-nitro-4-oxoquinazolin-3-yl)-N-(3-sulfamoylphenyl)acetamide
CID 55308255
N-[4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 55788390
N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-4-nitrobenzamide
CID 18905322
2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 2225782

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide (CID 4593253) is 2-(4-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide is NS(=O)(=O)c1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 2-(4-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is XQLSSPACIQRDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S2/c15-24(21,22)13-3-1-2-10(8-13)16-14(18)9-23-12-6-4-11(5-7-12)17(19)20/h1-8H,9H2,(H,16,18)(H2,15,21,22).
What are the key properties of 2-(4-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
2-(4-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 367.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 4593253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).