N-[3-[(Z)-N-[(4-chlorophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide

C20H17ClN4O3S — CID 5454652

IUPACN-[3-[(Z)-N-[(4-chlorophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C20H17ClN4O3S/c1-14(24-25-29(27,28)19-7-5-17(21)6-8-19)16-3-2-4-18(13-16)23-20(26)15-9-11-22-12-10-15/h2-13,25H,1H3,(H,23,26)/b24-14-
InChIKeySZRQZWRMRGSEBG-OYKKKHCWSA-N
MW428.90 g/mol
LogP3.69
Rot. Bonds6

About N-[3-[(Z)-N-[(4-chlorophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide

N-[3-[(Z)-N-[(4-chlorophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide (PubChem CID 5454652) has the molecular formula C20H17ClN4O3S and a molecular weight of 428.90 g/mol. Its IUPAC name is N-[3-[(Z)-N-[(4-chlorophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(Z)-N-[(4-chlorophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
PubChem CID5454652
Molecular FormulaC20H17ClN4O3S
Molecular Weight428.90 g/mol
Exact Mass428.07
IUPAC NameN-[3-[(Z)-N-[(4-chlorophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C20H17ClN4O3S/c1-14(24-25-29(27,28)19-7-5-17(21)6-8-19)16-3-2-4-18(13-16)23-20(26)15-9-11-22-12-10-15/h2-13,25H,1H3,(H,23,26)/b24-14-
InChIKeySZRQZWRMRGSEBG-OYKKKHCWSA-N
XLogP3.69
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-N-[(4-chlorophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[(Z)-N-[(4-chlorophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide (CID 5454652) is N-[3-[(Z)-N-[(4-chlorophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(Z)-N-[(4-chlorophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[(Z)-N-[(4-chlorophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide is C/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-[(Z)-N-[(4-chlorophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide?
The InChIKey is SZRQZWRMRGSEBG-OYKKKHCWSA-N. The full InChI is InChI=1S/C20H17ClN4O3S/c1-14(24-25-29(27,28)19-7-5-17(21)6-8-19)16-3-2-4-18(13-16)23-20(26)15-9-11-22-12-10-15/h2-13,25H,1H3,(H,23,26)/b24-14-.
What are the key properties of N-[3-[(Z)-N-[(4-chlorophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide?
N-[3-[(Z)-N-[(4-chlorophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide has a molecular weight of 428.90 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-N-[(4-chlorophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 5454652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).