2-methyl-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide

C15H12N4O4S2 — CID 55985268

IUPAC2-methyl-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C15H12N4O4S2/c1-10-2-7-13(19(20)21)8-15(10)25(22,23)17-12-5-3-11(4-6-12)14-9-24-18-16-14/h2-9,17H,1H3
InChIKeyFSABSNMXJKYQCZ-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.22
Rot. Bonds5

About 2-methyl-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide

2-methyl-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 55985268) has the molecular formula C15H12N4O4S2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-methyl-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID55985268
Molecular FormulaC15H12N4O4S2
Molecular Weight376.42 g/mol
Exact Mass376.03
IUPAC Name2-methyl-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C15H12N4O4S2/c1-10-2-7-13(19(20)21)8-15(10)25(22,23)17-12-5-3-11(4-6-12)14-9-24-18-16-14/h2-9,17H,1H3
InChIKeyFSABSNMXJKYQCZ-UHFFFAOYSA-N
XLogP3.22
TPSA115.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.22
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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Related Compounds

2-methoxy-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
CID 55985401
N-(4-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2920673
2-methyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-5-nitrobenzenesulfonamide
CID 41427583
N-(4-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2796540
2-methyl-5-nitro-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 30295090
2-methyl-5-nitro-N-[4-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 21173747
2-methyl-N-(4-methyl-3-nitrophenyl)-5-nitrobenzenesulfonamide
CID 2796554
N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide
CID 60792562
2-carboxy-5-[(2-methyl-5-nitrophenyl)sulfonylamino]phenolate
CID 54725190
N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2944627
2-chloro-N-(4-methylphenyl)-5-nitrobenzenesulfonamide
CID 2844050
5-bromo-2-methoxy-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
CID 3768639

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-methyl-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide (CID 55985268) is 2-methyl-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2csnn2)cc1.
What is the InChIKey of 2-methyl-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is FSABSNMXJKYQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4S2/c1-10-2-7-13(19(20)21)8-15(10)25(22,23)17-12-5-3-11(4-6-12)14-9-24-18-16-14/h2-9,17H,1H3.
What are the key properties of 2-methyl-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide?
2-methyl-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 376.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 55985268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).