N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide

C19H16N4O5S — CID 4838891

IUPACN-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccn3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H16N4O5S/c1-13-5-10-16(12-18(13)23(25)26)29(27,28)22-15-8-6-14(7-9-15)21-19(24)17-4-2-3-11-20-17/h2-12,22H,1H3,(H,21,24)
InChIKeyICEANRDRPUNHSE-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.35
Rot. Bonds6

About N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide

N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide (PubChem CID 4838891) has the molecular formula C19H16N4O5S and a molecular weight of 412.43 g/mol. Its IUPAC name is N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide
PubChem CID4838891
Molecular FormulaC19H16N4O5S
Molecular Weight412.43 g/mol
Exact Mass412.08
IUPAC NameN-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccn3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H16N4O5S/c1-13-5-10-16(12-18(13)23(25)26)29(27,28)22-15-8-6-14(7-9-15)21-19(24)17-4-2-3-11-20-17/h2-12,22H,1H3,(H,21,24)
InChIKeyICEANRDRPUNHSE-UHFFFAOYSA-N
XLogP3.35
TPSA131.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide
CID 26576093
4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 26537691
N-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide
CID 5045129
2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 55439570
propan-2-yl 4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoate
CID 4824355
N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 46412532
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 19224265
N-(1,3-benzodioxol-5-yl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 27648604
3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide
CID 22775051
4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-piperidin-1-ylbenzamide
CID 9271650
N-(4-fluoro-2-methylphenyl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 26886321
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 39265874

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide (CID 4838891) is N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccn3)cc2)cc1[N+](=O)[O-].
What is the InChIKey of N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide?
The InChIKey is ICEANRDRPUNHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5S/c1-13-5-10-16(12-18(13)23(25)26)29(27,28)22-15-8-6-14(7-9-15)21-19(24)17-4-2-3-11-20-17/h2-12,22H,1H3,(H,21,24).
What are the key properties of N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide?
N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide has a molecular weight of 412.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 4838891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).