N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]pyridine-4-carboxamide

C20H19N3O3S — CID 130431478

IUPACN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccncc1
InChIInChI=1S/C20H19N3O3S/c24-20(18-10-12-21-13-11-18)22-14-16-6-8-17(9-7-16)15-23-27(25,26)19-4-2-1-3-5-19/h1-13,23H,14-15H2,(H,22,24)
InChIKeyDRZUSJGUDTXHHR-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.49
Rot. Bonds7

About N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]pyridine-4-carboxamide

N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 130431478) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID130431478
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccncc1
InChIInChI=1S/C20H19N3O3S/c24-20(18-10-12-21-13-11-18)22-14-16-6-8-17(9-7-16)15-23-27(25,26)19-4-2-1-3-5-19/h1-13,23H,14-15H2,(H,22,24)
InChIKeyDRZUSJGUDTXHHR-UHFFFAOYSA-N
XLogP2.49
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Stf-31
CID 984333
N-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide
CID 155144635
4-Acetyl-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 746813
N-(3,3-diphenylpropyl)pyridine-4-carboxamide
CID 5193384
Tubulin inhibitor 11
CID 139369407
3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390983
N-(3-pyridyl)[3-(pyrrolidinylsulfonyl)phenyl]carboxamide
CID 711634
N'-isonicotinoylbenzenesulfonohydrazide
CID 468603
N-benzylpyridine-4-carboxamide
CID 233151
(2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 14783884
N-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
CID 44201382
Sulfonamide deriv., 7i
CID 44520905

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]pyridine-4-carboxamide (CID 130431478) is N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]pyridine-4-carboxamide is O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccncc1.
What is the InChIKey of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is DRZUSJGUDTXHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c24-20(18-10-12-21-13-11-18)22-14-16-6-8-17(9-7-16)15-23-27(25,26)19-4-2-1-3-5-19/h1-13,23H,14-15H2,(H,22,24).
What are the key properties of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]pyridine-4-carboxamide?
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 130431478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).