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

C20H18N4O5S — CID 155565992

IUPACN-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cccnc1
InChIInChI=1S/C20H18N4O5S/c25-20(17-2-1-11-21-14-17)22-12-15-3-5-16(6-4-15)13-23-30(28,29)19-9-7-18(8-10-19)24(26)27/h1-11,14,23H,12-13H2,(H,22,25)
InChIKeyGQWNEIHTTJYCQH-UHFFFAOYSA-N
MW426.45 g/mol
LogP2.40
Rot. Bonds8

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

N-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 155565992) has the molecular formula C20H18N4O5S and a molecular weight of 426.45 g/mol. Its IUPAC name is N-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
PubChem CID155565992
Molecular FormulaC20H18N4O5S
Molecular Weight426.45 g/mol
Exact Mass426.10
IUPAC NameN-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cccnc1
InChIInChI=1S/C20H18N4O5S/c25-20(17-2-1-11-21-14-17)22-12-15-3-5-16(6-4-15)13-23-30(28,29)19-9-7-18(8-10-19)24(26)27/h1-11,14,23H,12-13H2,(H,22,25)
InChIKeyGQWNEIHTTJYCQH-UHFFFAOYSA-N
XLogP2.40
TPSA131.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.40
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-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide
CID 110294457
2-methyl-N-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155521624
N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 130431441
N-[(4-nitrophenyl)methyl]benzenesulfonamide
CID 15751182
N-benzylpyridine-3-carboxamide chloride
CID 21204170
4-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 2164802
N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide
CID 10314877
N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide
CID 108766189
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 24672701
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833
2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide
CID 71888436

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide (CID 155565992) is N-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cccnc1.
What is the InChIKey of N-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is GQWNEIHTTJYCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5S/c25-20(17-2-1-11-21-14-17)22-12-15-3-5-16(6-4-15)13-23-30(28,29)19-9-7-18(8-10-19)24(26)27/h1-11,14,23H,12-13H2,(H,22,25).
What are the key properties of N-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide?
N-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 426.45 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 155565992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).