N-pyridin-2-yl-4-[[(2R,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]benzenesulfonamide

C16H19N3O6S — CID 45113030

IUPACN-pyridin-2-yl-4-[[(2R,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(/N=C/[C@@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C16H19N3O6S/c20-10-14(22)16(23)13(21)9-18-11-4-6-12(7-5-11)26(24,25)19-15-3-1-2-8-17-15/h1-9,13-14,16,20-23H,10H2,(H,17,19)/b18-9+/t13-,14-,16+/m1/s1
InChIKeyMSERKJTZPHKVII-WJIYVYNESA-N
MW381.41 g/mol
LogP-0.34
Rot. Bonds8

About N-pyridin-2-yl-4-[[(2R,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]benzenesulfonamide

N-pyridin-2-yl-4-[[(2R,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]benzenesulfonamide (PubChem CID 45113030) has the molecular formula C16H19N3O6S and a molecular weight of 381.41 g/mol. Its IUPAC name is N-pyridin-2-yl-4-[[(2R,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-pyridin-2-yl-4-[[(2R,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]benzenesulfonamide
PubChem CID45113030
Molecular FormulaC16H19N3O6S
Molecular Weight381.41 g/mol
Exact Mass381.10
IUPAC NameN-pyridin-2-yl-4-[[(2R,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(/N=C/[C@@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C16H19N3O6S/c20-10-14(22)16(23)13(21)9-18-11-4-6-12(7-5-11)26(24,25)19-15-3-1-2-8-17-15/h1-9,13-14,16,20-23H,10H2,(H,17,19)/b18-9+/t13-,14-,16+/m1/s1
InChIKeyMSERKJTZPHKVII-WJIYVYNESA-N
XLogP-0.34
TPSA152.34 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 5-0.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-4-[[(2R,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]benzenesulfonamide?
The IUPAC name of N-pyridin-2-yl-4-[[(2R,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]benzenesulfonamide (CID 45113030) is N-pyridin-2-yl-4-[[(2R,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]benzenesulfonamide.
What is the SMILES notation for N-pyridin-2-yl-4-[[(2R,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]benzenesulfonamide?
The canonical SMILES for N-pyridin-2-yl-4-[[(2R,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]benzenesulfonamide is O=S(=O)(Nc1ccccn1)c1ccc(/N=C/[C@@H](O)[C@H](O)[C@H](O)CO)cc1.
What is the InChIKey of N-pyridin-2-yl-4-[[(2R,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]benzenesulfonamide?
The InChIKey is MSERKJTZPHKVII-WJIYVYNESA-N. The full InChI is InChI=1S/C16H19N3O6S/c20-10-14(22)16(23)13(21)9-18-11-4-6-12(7-5-11)26(24,25)19-15-3-1-2-8-17-15/h1-9,13-14,16,20-23H,10H2,(H,17,19)/b18-9+/t13-,14-,16+/m1/s1.
What are the key properties of N-pyridin-2-yl-4-[[(2R,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]benzenesulfonamide?
N-pyridin-2-yl-4-[[(2R,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]benzenesulfonamide has a molecular weight of 381.41 g/mol, XLogP of -0.34, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-4-[[(2R,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]benzenesulfonamide is sourced from PubChem (CID 45113030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).