N-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methylthiophen-2-yl)methylideneamino]benzenesulfonamide

C18H18N4O2S2 — CID 4266689

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methylthiophen-2-yl)methylideneamino]benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(/N=C/c3ccc(C)s3)cc2)n1
InChIInChI=1S/C18H18N4O2S2/c1-12-10-13(2)21-18(20-12)22-26(23,24)17-8-5-15(6-9-17)19-11-16-7-4-14(3)25-16/h4-11H,1-3H3,(H,20,21,22)/b19-11+
InChIKeyPYNWOUZVOUSSAZ-YBFXNURJSA-N
MW386.50 g/mol
LogP4.01
Rot. Bonds5

About N-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methylthiophen-2-yl)methylideneamino]benzenesulfonamide

N-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methylthiophen-2-yl)methylideneamino]benzenesulfonamide (PubChem CID 4266689) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methylthiophen-2-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methylthiophen-2-yl)methylideneamino]benzenesulfonamide
PubChem CID4266689
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methylthiophen-2-yl)methylideneamino]benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(/N=C/c3ccc(C)s3)cc2)n1
InChIInChI=1S/C18H18N4O2S2/c1-12-10-13(2)21-18(20-12)22-26(23,24)17-8-5-15(6-9-17)19-11-16-7-4-14(3)25-16/h4-11H,1-3H3,(H,20,21,22)/b19-11+
InChIKeyPYNWOUZVOUSSAZ-YBFXNURJSA-N
XLogP4.01
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[4-[(5-methylthiophen-2-yl)methylideneamino]phenyl]sulfonylurea
CID 4988131
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
N-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(ethylamino)phenyl]diazenyl]benzenesulfonamide
CID 71495448
N-(4-methylpyrimidin-2-yl)-4-(pyridin-4-ylmethylideneamino)benzenesulfonamide
CID 25035369
1-(5-methylthiophen-2-yl)-N-(4-propan-2-ylphenyl)methanimine
CID 2357426
4-[(2,6-diamino-4-oxo-1,3-thiazin-5-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 136677867
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
CID 21393658
N-(4,6-dimethylpyrimidin-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507234
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
4-(cyanomethyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 79186466
1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide
CID 122141660
4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 59680651

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methylthiophen-2-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methylthiophen-2-yl)methylideneamino]benzenesulfonamide (CID 4266689) is N-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methylthiophen-2-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methylthiophen-2-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methylthiophen-2-yl)methylideneamino]benzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=C/c3ccc(C)s3)cc2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methylthiophen-2-yl)methylideneamino]benzenesulfonamide?
The InChIKey is PYNWOUZVOUSSAZ-YBFXNURJSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-12-10-13(2)21-18(20-12)22-26(23,24)17-8-5-15(6-9-17)19-11-16-7-4-14(3)25-16/h4-11H,1-3H3,(H,20,21,22)/b19-11+.
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methylthiophen-2-yl)methylideneamino]benzenesulfonamide?
N-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methylthiophen-2-yl)methylideneamino]benzenesulfonamide has a molecular weight of 386.50 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methylthiophen-2-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 4266689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).