N-[4-(benzyldiazenyl)-6-methylpyrimidin-2-yl]-2-chlorobenzenesulfonamide

C18H16ClN5O2S — CID 3125328

IUPACN-[4-(benzyldiazenyl)-6-methylpyrimidin-2-yl]-2-chlorobenzenesulfonamide
SMILESCc1cc(/N=N/Cc2ccccc2)nc(NS(=O)(=O)c2ccccc2Cl)n1
InChIInChI=1S/C18H16ClN5O2S/c1-13-11-17(23-20-12-14-7-3-2-4-8-14)22-18(21-13)24-27(25,26)16-10-6-5-9-15(16)19/h2-11H,12H2,1H3,(H,21,22,24)/b23-20+
InChIKeyVOSFRUNKEZICQW-BSYVCWPDSA-N
MW401.88 g/mol
LogP4.52
Rot. Bonds6

About N-[4-(benzyldiazenyl)-6-methylpyrimidin-2-yl]-2-chlorobenzenesulfonamide

N-[4-(benzyldiazenyl)-6-methylpyrimidin-2-yl]-2-chlorobenzenesulfonamide (PubChem CID 3125328) has the molecular formula C18H16ClN5O2S and a molecular weight of 401.88 g/mol. Its IUPAC name is N-[4-(benzyldiazenyl)-6-methylpyrimidin-2-yl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(benzyldiazenyl)-6-methylpyrimidin-2-yl]-2-chlorobenzenesulfonamide
PubChem CID3125328
Molecular FormulaC18H16ClN5O2S
Molecular Weight401.88 g/mol
Exact Mass401.07
IUPAC NameN-[4-(benzyldiazenyl)-6-methylpyrimidin-2-yl]-2-chlorobenzenesulfonamide
SMILESCc1cc(/N=N/Cc2ccccc2)nc(NS(=O)(=O)c2ccccc2Cl)n1
InChIInChI=1S/C18H16ClN5O2S/c1-13-11-17(23-20-12-14-7-3-2-4-8-14)22-18(21-13)24-27(25,26)16-10-6-5-9-15(16)19/h2-11H,12H2,1H3,(H,21,22,24)/b23-20+
InChIKeyVOSFRUNKEZICQW-BSYVCWPDSA-N
XLogP4.52
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[4-(benzyldiazenyl)-6-methylpyrimidin-2-yl]-2-chlorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Folaprim
CID 65405
N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-chlorobenzenesulfonamide
CID 44814589
N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-chlorobenzenesulfonamide
CID 52942018
N-[6-(3,4-dichlorophenyl)-4-pyrimidinyl]benzenesulfonamide
CID 71292547
N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)-4-methylbenzenesulfonamide
CID 1028501
4-Chloro-2-phenyl-6-[(phenylsulfonyl)methyl]pyrimidine
CID 1471761
N-{[(3-chloro-4-fluorophenyl)amino][(4,6-dimethyl-2-pyrimidinyl)amino]methylene}-1-phenylmethanesulfonamide
CID 5554534
2-chloro-N-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 658851
N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4-chlorobenzenesulfonamide
CID 44814590
(E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)(m-tolylamino)methylene)-4-methylbenzenesulfonamide
CID 5597811
4-chloro-N-(4-((4-methyl-6-(p-tolylamino)pyrimidin-2-yl)amino)phenyl)benzenesulfonamide
CID 27505839
2-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]benzenesulfonamide
CID 1068835

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzyldiazenyl)-6-methylpyrimidin-2-yl]-2-chlorobenzenesulfonamide?
The IUPAC name of N-[4-(benzyldiazenyl)-6-methylpyrimidin-2-yl]-2-chlorobenzenesulfonamide (CID 3125328) is N-[4-(benzyldiazenyl)-6-methylpyrimidin-2-yl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-[4-(benzyldiazenyl)-6-methylpyrimidin-2-yl]-2-chlorobenzenesulfonamide?
The canonical SMILES for N-[4-(benzyldiazenyl)-6-methylpyrimidin-2-yl]-2-chlorobenzenesulfonamide is Cc1cc(/N=N/Cc2ccccc2)nc(NS(=O)(=O)c2ccccc2Cl)n1.
What is the InChIKey of N-[4-(benzyldiazenyl)-6-methylpyrimidin-2-yl]-2-chlorobenzenesulfonamide?
The InChIKey is VOSFRUNKEZICQW-BSYVCWPDSA-N. The full InChI is InChI=1S/C18H16ClN5O2S/c1-13-11-17(23-20-12-14-7-3-2-4-8-14)22-18(21-13)24-27(25,26)16-10-6-5-9-15(16)19/h2-11H,12H2,1H3,(H,21,22,24)/b23-20+.
What are the key properties of N-[4-(benzyldiazenyl)-6-methylpyrimidin-2-yl]-2-chlorobenzenesulfonamide?
N-[4-(benzyldiazenyl)-6-methylpyrimidin-2-yl]-2-chlorobenzenesulfonamide has a molecular weight of 401.88 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzyldiazenyl)-6-methylpyrimidin-2-yl]-2-chlorobenzenesulfonamide is sourced from PubChem (CID 3125328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).