2-chloro-N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide

C19H18ClN5O3S — CID 3740723

IUPAC2-chloro-N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide
SMILESCOc1ccc(C=NNc2cc(C)nc(NS(=O)(=O)c3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H18ClN5O3S/c1-13-11-18(24-21-12-14-7-9-15(28-2)10-8-14)23-19(22-13)25-29(26,27)17-6-4-3-5-16(17)20/h3-12H,1-2H3,(H2,22,23,24,25)
InChIKeyNPOIHHJRIANHIG-UHFFFAOYSA-N
MW431.91 g/mol
LogP3.69
Rot. Bonds7

About 2-chloro-N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide

2-chloro-N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide (PubChem CID 3740723) has the molecular formula C19H18ClN5O3S and a molecular weight of 431.91 g/mol. Its IUPAC name is 2-chloro-N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide
PubChem CID3740723
Molecular FormulaC19H18ClN5O3S
Molecular Weight431.91 g/mol
Exact Mass431.08
IUPAC Name2-chloro-N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide
SMILESCOc1ccc(C=NNc2cc(C)nc(NS(=O)(=O)c3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H18ClN5O3S/c1-13-11-18(24-21-12-14-7-9-15(28-2)10-8-14)23-19(22-13)25-29(26,27)17-6-4-3-5-16(17)20/h3-12H,1-2H3,(H2,22,23,24,25)
InChIKeyNPOIHHJRIANHIG-UHFFFAOYSA-N
XLogP3.69
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.91
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide
CID 3700231
4-N-(4-chlorophenyl)-2-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine
CID 143789926
2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine
CID 139976229
3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
CID 110840444
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
2-chloro-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 122324963
2-chloro-N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 46392689
2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135509497
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122287164
2-[(2E)-2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136733342
3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine
CID 53357332
3-chloro-2-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 154752634

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide (CID 3740723) is 2-chloro-N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide is COc1ccc(C=NNc2cc(C)nc(NS(=O)(=O)c3ccccc3Cl)n2)cc1.
What is the InChIKey of 2-chloro-N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide?
The InChIKey is NPOIHHJRIANHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O3S/c1-13-11-18(24-21-12-14-7-9-15(28-2)10-8-14)23-19(22-13)25-29(26,27)17-6-4-3-5-16(17)20/h3-12H,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-chloro-N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide?
2-chloro-N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide has a molecular weight of 431.91 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 3740723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).