N-[5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methoxyphenyl]methanesulfonamide

C12H12Cl2N4O3S — CID 171491386

IUPACN-[5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methoxyphenyl]methanesulfonamide
SMILESCOc1ccc(Nc2nc(Cl)ncc2Cl)cc1NS(C)(=O)=O
InChIInChI=1S/C12H12Cl2N4O3S/c1-21-10-4-3-7(5-9(10)18-22(2,19)20)16-11-8(13)6-15-12(14)17-11/h3-6,18H,1-2H3,(H,15,16,17)
InChIKeyMOYQIRSWXHFRLF-UHFFFAOYSA-N
MW363.23 g/mol
LogP2.91
Rot. Bonds5

About N-[5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methoxyphenyl]methanesulfonamide

N-[5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methoxyphenyl]methanesulfonamide (PubChem CID 171491386) has the molecular formula C12H12Cl2N4O3S and a molecular weight of 363.23 g/mol. Its IUPAC name is N-[5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methoxyphenyl]methanesulfonamide
PubChem CID171491386
Molecular FormulaC12H12Cl2N4O3S
Molecular Weight363.23 g/mol
Exact Mass362.00
IUPAC NameN-[5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methoxyphenyl]methanesulfonamide
SMILESCOc1ccc(Nc2nc(Cl)ncc2Cl)cc1NS(C)(=O)=O
InChIInChI=1S/C12H12Cl2N4O3S/c1-21-10-4-3-7(5-9(10)18-22(2,19)20)16-11-8(13)6-15-12(14)17-11/h3-6,18H,1-2H3,(H,15,16,17)
InChIKeyMOYQIRSWXHFRLF-UHFFFAOYSA-N
XLogP2.91
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2,5-dichloropyrimidin-4-yl)amino]-5-methoxyphenyl]methanesulfonamide
CID 58236347
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
CID 79632991
2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine
CID 79639325
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169373450
5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114841159
N-[2-[[5-chloro-2-[3,4-dimethoxy-5-(2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 58236448
N-[6-[(2,5-dichloropyrimidin-4-yl)amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide
CID 165395114
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577
5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylisoindole-1,3-dione
CID 79639322
N-[2-[[5-chloro-2-[2-methoxy-5-(3-methylbutanoyl)anilino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 159594881
2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 79632159
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide
CID 113022491

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methoxyphenyl]methanesulfonamide (CID 171491386) is N-[5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methoxyphenyl]methanesulfonamide is COc1ccc(Nc2nc(Cl)ncc2Cl)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methoxyphenyl]methanesulfonamide?
The InChIKey is MOYQIRSWXHFRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O3S/c1-21-10-4-3-7(5-9(10)18-22(2,19)20)16-11-8(13)6-15-12(14)17-11/h3-6,18H,1-2H3,(H,15,16,17).
What are the key properties of N-[5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methoxyphenyl]methanesulfonamide?
N-[5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methoxyphenyl]methanesulfonamide has a molecular weight of 363.23 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 171491386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).