3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide

C10H10N4O4S2 — CID 115993249

IUPAC3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCNc1cccc(S(=O)(=O)Nc2nccs2)c1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O4S2/c1-11-7-3-2-4-8(9(7)14(15)16)20(17,18)13-10-12-5-6-19-10/h2-6,11H,1H3,(H,12,13)
InChIKeyHQASTIWIVFRUTC-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.89
Rot. Bonds5

About 3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide

3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 115993249) has the molecular formula C10H10N4O4S2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID115993249
Molecular FormulaC10H10N4O4S2
Molecular Weight314.35 g/mol
Exact Mass314.01
IUPAC Name3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCNc1cccc(S(=O)(=O)Nc2nccs2)c1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O4S2/c1-11-7-3-2-4-8(9(7)14(15)16)20(17,18)13-10-12-5-6-19-10/h2-6,11H,1H3,(H,12,13)
InChIKeyHQASTIWIVFRUTC-UHFFFAOYSA-N
XLogP1.89
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.89
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-(methylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 55044038
3-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
CID 115993230
3-(methylamino)-N-(3-methyl-1,2-oxazol-5-yl)-2-nitrobenzenesulfonamide
CID 115993206
N-methyl-3-methylsulfonyl-2-nitroaniline
CID 71377132
5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 62150001
N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide
CID 146763683
2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031858
3-(ethylamino)-4-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 82845963
3-(methylamino)-2-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 115548761
2-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62148610
4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59216632
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 115993249) is 3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide is CNc1cccc(S(=O)(=O)Nc2nccs2)c1[N+](=O)[O-].
What is the InChIKey of 3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is HQASTIWIVFRUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S2/c1-11-7-3-2-4-8(9(7)14(15)16)20(17,18)13-10-12-5-6-19-10/h2-6,11H,1H3,(H,12,13).
What are the key properties of 3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 314.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 115993249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).