2-aminobenzenesulfonamide;pyridine

C11H13N3O2S — CID 159520045

IUPAC2-aminobenzenesulfonamide;pyridine
SMILESNc1ccccc1S(N)(=O)=O.c1ccncc1
InChIInChI=1S/C6H8N2O2S.C5H5N/c7-5-3-1-2-4-6(5)11(8,9)10;1-2-4-6-5-3-1/h1-4H,7H2,(H2,8,9,10);1-5H
InChIKeyMBRRKCDKFBEBIU-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.00
Rot. Bonds1

About 2-aminobenzenesulfonamide;pyridine

2-aminobenzenesulfonamide;pyridine (PubChem CID 159520045) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-aminobenzenesulfonamide;pyridine.

Molecular Properties

Compound Name2-aminobenzenesulfonamide;pyridine
PubChem CID159520045
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-aminobenzenesulfonamide;pyridine
SMILESNc1ccccc1S(N)(=O)=O.c1ccncc1
InChIInChI=1S/C6H8N2O2S.C5H5N/c7-5-3-1-2-4-6(5)11(8,9)10;1-2-4-6-5-3-1/h1-4H,7H2,(H2,8,9,10);1-5H
InChIKeyMBRRKCDKFBEBIU-UHFFFAOYSA-N
XLogP1.00
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Sulfapyridine
CID 5336
N-(pyridin-4-yl)benzenesulfonamide
CID 669138
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
N-3-Pyridylbenzenesulfonamide
CID 339079
Sulfapyridine Sodium
CID 23667654
5-Aminopyridine-2-sulfonamide
CID 22313850
BM-960102
CID 819349
4-Hydrazinylpyridine-3-sulfonamide
CID 12554666
4-Pyridin-3-ylbenzenesulfonamide
CID 110453853

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzenesulfonamide;pyridine?
The IUPAC name of 2-aminobenzenesulfonamide;pyridine (CID 159520045) is 2-aminobenzenesulfonamide;pyridine.
What is the SMILES notation for 2-aminobenzenesulfonamide;pyridine?
The canonical SMILES for 2-aminobenzenesulfonamide;pyridine is Nc1ccccc1S(N)(=O)=O.c1ccncc1.
What is the InChIKey of 2-aminobenzenesulfonamide;pyridine?
The InChIKey is MBRRKCDKFBEBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S.C5H5N/c7-5-3-1-2-4-6(5)11(8,9)10;1-2-4-6-5-3-1/h1-4H,7H2,(H2,8,9,10);1-5H.
What are the key properties of 2-aminobenzenesulfonamide;pyridine?
2-aminobenzenesulfonamide;pyridine has a molecular weight of 251.31 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzenesulfonamide;pyridine is sourced from PubChem (CID 159520045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).