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

C12H12Cl2N4O3S — CID 58236347

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

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

N-[2-[(2,5-dichloropyrimidin-4-yl)amino]-5-methoxyphenyl]methanesulfonamide (PubChem CID 58236347) has the molecular formula C12H12Cl2N4O3S and a molecular weight of 363.23 g/mol. Its IUPAC name is N-[2-[(2,5-dichloropyrimidin-4-yl)amino]-5-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2,5-dichloropyrimidin-4-yl)amino]-5-methoxyphenyl]methanesulfonamide
PubChem CID58236347
Molecular FormulaC12H12Cl2N4O3S
Molecular Weight363.23 g/mol
Exact Mass362.00
IUPAC NameN-[2-[(2,5-dichloropyrimidin-4-yl)amino]-5-methoxyphenyl]methanesulfonamide
SMILESCOc1ccc(Nc2nc(Cl)ncc2Cl)c(NS(C)(=O)=O)c1
InChIInChI=1S/C12H12Cl2N4O3S/c1-21-7-3-4-9(10(5-7)18-22(2,19)20)16-11-8(13)6-15-12(14)17-11/h3-6,18H,1-2H3,(H,15,16,17)
InChIKeyRXMBINDDYVBEAW-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-[5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methoxyphenyl]methanesulfonamide
CID 171491386
methyl 3-[3-[[5-chloro-4-[2-(methanesulfonamido)-4-methoxyanilino]pyrimidin-2-yl]amino]-2-methylphenyl]propanoate
CID 67129363
N-[6-[(2,5-dichloropyrimidin-4-yl)amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide
CID 165395114
N-[2-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]-5-methoxyphenyl]methanesulfonamide
CID 165394517
4-N-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine
CID 80846775
N-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide
CID 20504403
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
CID 79632991
3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine
CID 87330243
5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 67962528
2,5-dichloro-N-[4-(difluoromethoxy)-2-methylphenyl]pyrimidin-4-amine
CID 170076502
5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80918932
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dichloropyrimidin-4-yl)amino]-5-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[2-[(2,5-dichloropyrimidin-4-yl)amino]-5-methoxyphenyl]methanesulfonamide (CID 58236347) is N-[2-[(2,5-dichloropyrimidin-4-yl)amino]-5-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2,5-dichloropyrimidin-4-yl)amino]-5-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2,5-dichloropyrimidin-4-yl)amino]-5-methoxyphenyl]methanesulfonamide is COc1ccc(Nc2nc(Cl)ncc2Cl)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[2-[(2,5-dichloropyrimidin-4-yl)amino]-5-methoxyphenyl]methanesulfonamide?
The InChIKey is RXMBINDDYVBEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O3S/c1-21-7-3-4-9(10(5-7)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-[2-[(2,5-dichloropyrimidin-4-yl)amino]-5-methoxyphenyl]methanesulfonamide?
N-[2-[(2,5-dichloropyrimidin-4-yl)amino]-5-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-[2-[(2,5-dichloropyrimidin-4-yl)amino]-5-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 58236347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).