N-[4-(benzenesulfonamido)phenyl]pyridine-3-carboxamide

C18H15N3O3S — CID 1147317

IUPACN-[4-(benzenesulfonamido)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C18H15N3O3S/c22-18(14-5-4-12-19-13-14)20-15-8-10-16(11-9-15)21-25(23,24)17-6-2-1-3-7-17/h1-13,21H,(H,20,22)
InChIKeyBFUBIDBXYQISED-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.13
Rot. Bonds5

About N-[4-(benzenesulfonamido)phenyl]pyridine-3-carboxamide

N-[4-(benzenesulfonamido)phenyl]pyridine-3-carboxamide (PubChem CID 1147317) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[4-(benzenesulfonamido)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonamido)phenyl]pyridine-3-carboxamide
PubChem CID1147317
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-[4-(benzenesulfonamido)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C18H15N3O3S/c22-18(14-5-4-12-19-13-14)20-15-8-10-16(11-9-15)21-25(23,24)17-6-2-1-3-7-17/h1-13,21H,(H,20,22)
InChIKeyBFUBIDBXYQISED-UHFFFAOYSA-N
XLogP3.13
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonamido)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(benzenesulfonamido)phenyl]pyridine-3-carboxamide (CID 1147317) is N-[4-(benzenesulfonamido)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(benzenesulfonamido)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(benzenesulfonamido)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccnc1.
What is the InChIKey of N-[4-(benzenesulfonamido)phenyl]pyridine-3-carboxamide?
The InChIKey is BFUBIDBXYQISED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c22-18(14-5-4-12-19-13-14)20-15-8-10-16(11-9-15)21-25(23,24)17-6-2-1-3-7-17/h1-13,21H,(H,20,22).
What are the key properties of N-[4-(benzenesulfonamido)phenyl]pyridine-3-carboxamide?
N-[4-(benzenesulfonamido)phenyl]pyridine-3-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonamido)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1147317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).