2-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide

C14H10N4O4S2 — CID 3687202

IUPAC2-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C14H10N4O4S2/c19-18(20)13-3-1-2-4-14(13)24(21,22)16-11-7-5-10(6-8-11)12-9-23-17-15-12/h1-9,16H
InChIKeyJSUKDJUWXIJELD-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.91
Rot. Bonds5

About 2-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide

2-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 3687202) has the molecular formula C14H10N4O4S2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID3687202
Molecular FormulaC14H10N4O4S2
Molecular Weight362.39 g/mol
Exact Mass362.01
IUPAC Name2-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C14H10N4O4S2/c19-18(20)13-3-1-2-4-14(13)24(21,22)16-11-7-5-10(6-8-11)12-9-23-17-15-12/h1-9,16H
InChIKeyJSUKDJUWXIJELD-UHFFFAOYSA-N
XLogP2.91
TPSA115.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide (CID 3687202) is 2-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-c2csnn2)cc1.
What is the InChIKey of 2-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is JSUKDJUWXIJELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O4S2/c19-18(20)13-3-1-2-4-14(13)24(21,22)16-11-7-5-10(6-8-11)12-9-23-17-15-12/h1-9,16H.
What are the key properties of 2-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide?
2-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 362.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3687202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).