N-(4-methyl-3-nitrophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C14H12N4O4S — CID 75435532

IUPACN-(4-methyl-3-nitrophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12N4O4S/c1-9-4-5-10(7-12(9)18(19)20)17-23(21,22)13-8-16-14-11(13)3-2-6-15-14/h2-8,17H,1H3,(H,15,16)
InChIKeyCEEZIDFWZCCBIC-UHFFFAOYSA-N
MW332.34 g/mol
LogP2.58
Rot. Bonds4

About N-(4-methyl-3-nitrophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-(4-methyl-3-nitrophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 75435532) has the molecular formula C14H12N4O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is N-(4-methyl-3-nitrophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methyl-3-nitrophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID75435532
Molecular FormulaC14H12N4O4S
Molecular Weight332.34 g/mol
Exact Mass332.06
IUPAC NameN-(4-methyl-3-nitrophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12N4O4S/c1-9-4-5-10(7-12(9)18(19)20)17-23(21,22)13-8-16-14-11(13)3-2-6-15-14/h2-8,17H,1H3,(H,15,16)
InChIKeyCEEZIDFWZCCBIC-UHFFFAOYSA-N
XLogP2.58
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53173972
3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide
CID 22775051
N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 142393211
2-methyl-N-(4-methyl-3-nitrophenyl)-5-nitrobenzenesulfonamide
CID 2796554
N-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 54937260
N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide
CID 4838891
2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide
CID 43456451
N-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 60560655
N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 7939121
N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 105055687
N-(3,4-difluorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 4876032
N-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3-nitroaniline
CID 62912632

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-nitrophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(4-methyl-3-nitrophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 75435532) is N-(4-methyl-3-nitrophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-methyl-3-nitrophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(4-methyl-3-nitrophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methyl-3-nitrophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is CEEZIDFWZCCBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4S/c1-9-4-5-10(7-12(9)18(19)20)17-23(21,22)13-8-16-14-11(13)3-2-6-15-14/h2-8,17H,1H3,(H,15,16).
What are the key properties of N-(4-methyl-3-nitrophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(4-methyl-3-nitrophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 332.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-nitrophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 75435532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).