3-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide

C11H12N4O4S2 — CID 115993230

IUPAC3-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
SMILESCNc1cccc(S(=O)(=O)Nc2nc(C)cs2)c1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O4S2/c1-7-6-20-11(13-7)14-21(18,19)9-5-3-4-8(12-2)10(9)15(16)17/h3-6,12H,1-2H3,(H,13,14)
InChIKeyBZTBATHHZLSOAC-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.20
Rot. Bonds5

About 3-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide

3-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide (PubChem CID 115993230) has the molecular formula C11H12N4O4S2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
PubChem CID115993230
Molecular FormulaC11H12N4O4S2
Molecular Weight328.38 g/mol
Exact Mass328.03
IUPAC Name3-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
SMILESCNc1cccc(S(=O)(=O)Nc2nc(C)cs2)c1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O4S2/c1-7-6-20-11(13-7)14-21(18,19)9-5-3-4-8(12-2)10(9)15(16)17/h3-6,12H,1-2H3,(H,13,14)
InChIKeyBZTBATHHZLSOAC-UHFFFAOYSA-N
XLogP2.20
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.20
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

3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 115993249
3-(methylamino)-N-(3-methyl-1,2-oxazol-5-yl)-2-nitrobenzenesulfonamide
CID 115993206
N-methyl-3-methylsulfonyl-2-nitroaniline
CID 71377132
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115589504
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzenesulfonamide
CID 3820035
2-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 114133504
2-amino-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62149608
3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
CID 115993561
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203685
3-(methylamino)-N-(2-methylbutyl)-2-nitrobenzenesulfonamide
CID 115993594
3-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-nitroaniline
CID 61043004
4-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43135540

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide?
The IUPAC name of 3-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide (CID 115993230) is 3-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 3-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide?
The canonical SMILES for 3-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide is CNc1cccc(S(=O)(=O)Nc2nc(C)cs2)c1[N+](=O)[O-].
What is the InChIKey of 3-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide?
The InChIKey is BZTBATHHZLSOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S2/c1-7-6-20-11(13-7)14-21(18,19)9-5-3-4-8(12-2)10(9)15(16)17/h3-6,12H,1-2H3,(H,13,14).
What are the key properties of 3-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide?
3-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide has a molecular weight of 328.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 115993230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).