N-[4-[amino-(4,6-dimethylpyrimidin-2-yl)methyl]phenyl]-2,4-dichlorobenzenesulfonamide

C19H18Cl2N4O2S — CID 69225495

IUPACN-[4-[amino-(4,6-dimethylpyrimidin-2-yl)methyl]phenyl]-2,4-dichlorobenzenesulfonamide
SMILESCc1cc(C)nc(C(N)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2)n1
InChIInChI=1S/C19H18Cl2N4O2S/c1-11-9-12(2)24-19(23-11)18(22)13-3-6-15(7-4-13)25-28(26,27)17-8-5-14(20)10-16(17)21/h3-10,18,25H,22H2,1-2H3
InChIKeyJTQMCTZPWZPYIP-UHFFFAOYSA-N
MW437.35 g/mol
LogP4.25
Rot. Bonds5

About N-[4-[amino-(4,6-dimethylpyrimidin-2-yl)methyl]phenyl]-2,4-dichlorobenzenesulfonamide

N-[4-[amino-(4,6-dimethylpyrimidin-2-yl)methyl]phenyl]-2,4-dichlorobenzenesulfonamide (PubChem CID 69225495) has the molecular formula C19H18Cl2N4O2S and a molecular weight of 437.35 g/mol. Its IUPAC name is N-[4-[amino-(4,6-dimethylpyrimidin-2-yl)methyl]phenyl]-2,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[amino-(4,6-dimethylpyrimidin-2-yl)methyl]phenyl]-2,4-dichlorobenzenesulfonamide
PubChem CID69225495
Molecular FormulaC19H18Cl2N4O2S
Molecular Weight437.35 g/mol
Exact Mass436.05
IUPAC NameN-[4-[amino-(4,6-dimethylpyrimidin-2-yl)methyl]phenyl]-2,4-dichlorobenzenesulfonamide
SMILESCc1cc(C)nc(C(N)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2)n1
InChIInChI=1S/C19H18Cl2N4O2S/c1-11-9-12(2)24-19(23-11)18(22)13-3-6-15(7-4-13)25-28(26,27)17-8-5-14(20)10-16(17)21/h3-10,18,25H,22H2,1-2H3
InChIKeyJTQMCTZPWZPYIP-UHFFFAOYSA-N
XLogP4.25
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.35
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 69228032
2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 69227449
2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 28549919
5-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-methoxybenzenesulfonamide
CID 108783338
2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3830236
2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 11271175
2,4-dichloro-N-(1-methylindazol-5-yl)benzenesulfonamide
CID 59514150
2,4-dichloro-N-(1-methylindol-5-yl)benzenesulfonamide
CID 59823134
2,5-dichloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 121032391
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide
CID 3851178
2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629196

Frequently Asked Questions

What is the IUPAC name of N-[4-[amino-(4,6-dimethylpyrimidin-2-yl)methyl]phenyl]-2,4-dichlorobenzenesulfonamide?
The IUPAC name of N-[4-[amino-(4,6-dimethylpyrimidin-2-yl)methyl]phenyl]-2,4-dichlorobenzenesulfonamide (CID 69225495) is N-[4-[amino-(4,6-dimethylpyrimidin-2-yl)methyl]phenyl]-2,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[4-[amino-(4,6-dimethylpyrimidin-2-yl)methyl]phenyl]-2,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-[4-[amino-(4,6-dimethylpyrimidin-2-yl)methyl]phenyl]-2,4-dichlorobenzenesulfonamide is Cc1cc(C)nc(C(N)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2)n1.
What is the InChIKey of N-[4-[amino-(4,6-dimethylpyrimidin-2-yl)methyl]phenyl]-2,4-dichlorobenzenesulfonamide?
The InChIKey is JTQMCTZPWZPYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2S/c1-11-9-12(2)24-19(23-11)18(22)13-3-6-15(7-4-13)25-28(26,27)17-8-5-14(20)10-16(17)21/h3-10,18,25H,22H2,1-2H3.
What are the key properties of N-[4-[amino-(4,6-dimethylpyrimidin-2-yl)methyl]phenyl]-2,4-dichlorobenzenesulfonamide?
N-[4-[amino-(4,6-dimethylpyrimidin-2-yl)methyl]phenyl]-2,4-dichlorobenzenesulfonamide has a molecular weight of 437.35 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[amino-(4,6-dimethylpyrimidin-2-yl)methyl]phenyl]-2,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 69225495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).