N-benzyl-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide

C20H20N4O2S — CID 9121640

IUPACN-benzyl-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide
SMILESC/C(=N/Nc1ccccn1)c1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H20N4O2S/c1-16(23-24-20-9-5-6-14-21-20)18-10-12-19(13-11-18)27(25,26)22-15-17-7-3-2-4-8-17/h2-14,22H,15H2,1H3,(H,21,24)/b23-16-
InChIKeyDQWBVJVLBRQGIM-KQWNVCNZSA-N
MW380.47 g/mol
LogP3.40
Rot. Bonds7

About N-benzyl-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide

N-benzyl-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide (PubChem CID 9121640) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-benzyl-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide
PubChem CID9121640
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-benzyl-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide
SMILESC/C(=N/Nc1ccccn1)c1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H20N4O2S/c1-16(23-24-20-9-5-6-14-21-20)18-10-12-19(13-11-18)27(25,26)22-15-17-7-3-2-4-8-17/h2-14,22H,15H2,1H3,(H,21,24)/b23-16-
InChIKeyDQWBVJVLBRQGIM-KQWNVCNZSA-N
XLogP3.40
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.40
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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Related Compounds

(2S)-2-[[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenyl]sulfonylamino]propanoic acid
CID 8978780
N-[1-(4-phenylphenyl)ethylideneamino]pyridin-2-amine
CID 3582287
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]pyridin-2-amine
CID 9121645
N-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide
CID 9121690
N-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine
CID 6273160
2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide
CID 6217616
4-(benzylsulfamoyl)benzoate
CID 4743721
5-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenyl]furan-2-carboxylate
CID 9121729
4-(benzylsulfamoyl)benzenecarbothioamide
CID 3643967
N-(benzylsulfamoyl)pyridin-2-amine
CID 154490525
4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide
CID 67330648
N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]pyridin-2-amine
CID 9121631

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide (CID 9121640) is N-benzyl-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide is C/C(=N/Nc1ccccn1)c1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide?
The InChIKey is DQWBVJVLBRQGIM-KQWNVCNZSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-16(23-24-20-9-5-6-14-21-20)18-10-12-19(13-11-18)27(25,26)22-15-17-7-3-2-4-8-17/h2-14,22H,15H2,1H3,(H,21,24)/b23-16-.
What are the key properties of N-benzyl-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide?
N-benzyl-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide is sourced from PubChem (CID 9121640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).