2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide

C11H13N5O4S — CID 102807196

IUPAC2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C11H13N5O4S/c1-7-10(6-15(2)13-7)14-21(19,20)11-5-8(16(17)18)3-4-9(11)12/h3-6,14H,12H2,1-2H3
InChIKeyFKONASUWUNSMJB-UHFFFAOYSA-N
MW311.32 g/mol
LogP1.02
Rot. Bonds4

About 2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide

2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide (PubChem CID 102807196) has the molecular formula C11H13N5O4S and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide
PubChem CID102807196
Molecular FormulaC11H13N5O4S
Molecular Weight311.32 g/mol
Exact Mass311.07
IUPAC Name2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C11H13N5O4S/c1-7-10(6-15(2)13-7)14-21(19,20)11-5-8(16(17)18)3-4-9(11)12/h3-6,14H,12H2,1-2H3
InChIKeyFKONASUWUNSMJB-UHFFFAOYSA-N
XLogP1.02
TPSA133.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 102803440
5-amino-2-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803498
5-amino-2-chloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803345
3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803496
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide
CID 102803480
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide
CID 107586582
2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 62149589
N-(2-aminophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 43605579
2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide
CID 62143538
2-amino-N-tert-butyl-5-nitrobenzenesulfonamide
CID 62148445
3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803406
4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide
CID 102803397

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide (CID 102807196) is 2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide is Cc1nn(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide?
The InChIKey is FKONASUWUNSMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4S/c1-7-10(6-15(2)13-7)14-21(19,20)11-5-8(16(17)18)3-4-9(11)12/h3-6,14H,12H2,1-2H3.
What are the key properties of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide?
2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide has a molecular weight of 311.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 102807196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).