N-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide

C15H13ClN6O2S — CID 87554239

IUPACN-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide
SMILESNc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)nc(N)n1
InChIInChI=1S/C15H13ClN6O2S/c16-14-12(22-25(23,24)10-4-2-1-3-5-10)6-9(8-19-14)11-7-13(17)21-15(18)20-11/h1-8,22H,(H4,17,18,20,21)
InChIKeyMEFJUTMBTPQEFW-UHFFFAOYSA-N
MW376.83 g/mol
LogP2.16
Rot. Bonds4

About N-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide

N-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 87554239) has the molecular formula C15H13ClN6O2S and a molecular weight of 376.83 g/mol. Its IUPAC name is N-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID87554239
Molecular FormulaC15H13ClN6O2S
Molecular Weight376.83 g/mol
Exact Mass376.05
IUPAC NameN-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide
SMILESNc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)nc(N)n1
InChIInChI=1S/C15H13ClN6O2S/c16-14-12(22-25(23,24)10-4-2-1-3-5-10)6-9(8-19-14)11-7-13(17)21-15(18)20-11/h1-8,22H,(H4,17,18,20,21)
InChIKeyMEFJUTMBTPQEFW-UHFFFAOYSA-N
XLogP2.16
TPSA136.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-tert-butylpyridine-3-carboxamide
CID 174952677
[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]oxyboronic acid
CID 142785949
2-amino-N-[4-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]phenyl]-3-methylbutanamide
CID 175276585
N-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608268
N-[5-(4-benzyl-3-oxoquinoxalin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide
CID 59613730
N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
CID 86620385
5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162647933
N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide
CID 25144376
N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 46913311
N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 141461668
N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 87177165
N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 87176825

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide (CID 87554239) is N-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide is Nc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)nc(N)n1.
What is the InChIKey of N-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is MEFJUTMBTPQEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O2S/c16-14-12(22-25(23,24)10-4-2-1-3-5-10)6-9(8-19-14)11-7-13(17)21-15(18)20-11/h1-8,22H,(H4,17,18,20,21).
What are the key properties of N-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide?
N-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 376.83 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 87554239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).