N'-(2-methoxy-5-nitrophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide

C13H14N4O6S — CID 18092894

IUPACN'-(2-methoxy-5-nitrophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1cccn1C
InChIInChI=1S/C13H14N4O6S/c1-16-7-3-4-10(16)13(18)14-15-24(21,22)12-8-9(17(19)20)5-6-11(12)23-2/h3-8,15H,1-2H3,(H,14,18)
InChIKeyBKPZHFWRYXRQEW-UHFFFAOYSA-N
MW354.34 g/mol
LogP0.57
Rot. Bonds6

About N'-(2-methoxy-5-nitrophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide

N'-(2-methoxy-5-nitrophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide (PubChem CID 18092894) has the molecular formula C13H14N4O6S and a molecular weight of 354.34 g/mol. Its IUPAC name is N'-(2-methoxy-5-nitrophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methoxy-5-nitrophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide
PubChem CID18092894
Molecular FormulaC13H14N4O6S
Molecular Weight354.34 g/mol
Exact Mass354.06
IUPAC NameN'-(2-methoxy-5-nitrophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1cccn1C
InChIInChI=1S/C13H14N4O6S/c1-16-7-3-4-10(16)13(18)14-15-24(21,22)12-8-9(17(19)20)5-6-11(12)23-2/h3-8,15H,1-2H3,(H,14,18)
InChIKeyBKPZHFWRYXRQEW-UHFFFAOYSA-N
XLogP0.57
TPSA132.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 50.57
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

N'-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylbenzohydrazide
CID 8823128
2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288
2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide
CID 82723411
2-methoxy-5-nitro-N-propylbenzenesulfonamide
CID 43213176
(2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid
CID 28544839
N-(4-tert-butylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822435
N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822749
N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 35971820
2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 27663032
N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide
CID 8822909
N-(2-methoxyphenyl)-2-[(2E)-2-[(1-methylpyrrol-2-yl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 42995019
N-but-3-yn-2-yl-2-methoxy-5-nitrobenzenesulfonamide
CID 114419146

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-5-nitrophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of N'-(2-methoxy-5-nitrophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide (CID 18092894) is N'-(2-methoxy-5-nitrophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for N'-(2-methoxy-5-nitrophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for N'-(2-methoxy-5-nitrophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide is COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1cccn1C.
What is the InChIKey of N'-(2-methoxy-5-nitrophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide?
The InChIKey is BKPZHFWRYXRQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O6S/c1-16-7-3-4-10(16)13(18)14-15-24(21,22)12-8-9(17(19)20)5-6-11(12)23-2/h3-8,15H,1-2H3,(H,14,18).
What are the key properties of N'-(2-methoxy-5-nitrophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide?
N'-(2-methoxy-5-nitrophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide has a molecular weight of 354.34 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-5-nitrophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 18092894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).