N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]naphthalene-1-sulfonamide

C24H20N6O2S — CID 122291729

IUPACN-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]naphthalene-1-sulfonamide
SMILESCc1nc(Nc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C24H20N6O2S/c1-17-26-23(15-24(27-17)30-14-13-25-16-30)28-19-9-11-20(12-10-19)29-33(31,32)22-8-4-6-18-5-2-3-7-21(18)22/h2-16,29H,1H3,(H,26,27,28)
InChIKeyWIQPYEJWRKYSPW-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.67
Rot. Bonds6

About N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]naphthalene-1-sulfonamide

N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]naphthalene-1-sulfonamide (PubChem CID 122291729) has the molecular formula C24H20N6O2S and a molecular weight of 456.53 g/mol. Its IUPAC name is N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]naphthalene-1-sulfonamide
PubChem CID122291729
Molecular FormulaC24H20N6O2S
Molecular Weight456.53 g/mol
Exact Mass456.14
IUPAC NameN-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]naphthalene-1-sulfonamide
SMILESCc1nc(Nc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C24H20N6O2S/c1-17-26-23(15-24(27-17)30-14-13-25-16-30)28-19-9-11-20(12-10-19)29-33(31,32)22-8-4-6-18-5-2-3-7-21(18)22/h2-16,29H,1H3,(H,26,27,28)
InChIKeyWIQPYEJWRKYSPW-UHFFFAOYSA-N
XLogP4.67
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dichloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121074150
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 121074158
3-acetyl-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122291716
N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]naphthalene-1-sulfonamide
CID 122316916
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-naphthalen-1-ylacetamide
CID 122291584
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide
CID 122310258
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]propanamide
CID 70702579
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122291669
2-(1,3-dioxoisoindol-2-yl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122291598
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]pyridine-2-carboxamide
CID 122291528
1-(3-ethylphenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea
CID 56920804
N-(4-anilinophenyl)naphthalene-1-sulfonamide
CID 86182181

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]naphthalene-1-sulfonamide (CID 122291729) is N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]naphthalene-1-sulfonamide is Cc1nc(Nc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2)cc(-n2ccnc2)n1.
What is the InChIKey of N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]naphthalene-1-sulfonamide?
The InChIKey is WIQPYEJWRKYSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2S/c1-17-26-23(15-24(27-17)30-14-13-25-16-30)28-19-9-11-20(12-10-19)29-33(31,32)22-8-4-6-18-5-2-3-7-21(18)22/h2-16,29H,1H3,(H,26,27,28).
What are the key properties of N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]naphthalene-1-sulfonamide?
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]naphthalene-1-sulfonamide has a molecular weight of 456.53 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 122291729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).