N-[6-[(2,5-dichloropyrimidin-4-yl)amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide

C13H12Cl2N4O3S — CID 165395114

IUPACN-[6-[(2,5-dichloropyrimidin-4-yl)amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1Nc1nc(Cl)ncc1Cl)OCC2
InChIInChI=1S/C13H12Cl2N4O3S/c1-23(20,21)19-10-4-7-2-3-22-11(7)5-9(10)17-12-8(14)6-16-13(15)18-12/h4-6,19H,2-3H2,1H3,(H,16,17,18)
InChIKeyACTMWSYRLJSBDC-UHFFFAOYSA-N
MW375.24 g/mol
LogP2.83
Rot. Bonds4

About N-[6-[(2,5-dichloropyrimidin-4-yl)amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide

N-[6-[(2,5-dichloropyrimidin-4-yl)amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide (PubChem CID 165395114) has the molecular formula C13H12Cl2N4O3S and a molecular weight of 375.24 g/mol. Its IUPAC name is N-[6-[(2,5-dichloropyrimidin-4-yl)amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[(2,5-dichloropyrimidin-4-yl)amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide
PubChem CID165395114
Molecular FormulaC13H12Cl2N4O3S
Molecular Weight375.24 g/mol
Exact Mass374.00
IUPAC NameN-[6-[(2,5-dichloropyrimidin-4-yl)amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1Nc1nc(Cl)ncc1Cl)OCC2
InChIInChI=1S/C13H12Cl2N4O3S/c1-23(20,21)19-10-4-7-2-3-22-11(7)5-9(10)17-12-8(14)6-16-13(15)18-12/h4-6,19H,2-3H2,1H3,(H,16,17,18)
InChIKeyACTMWSYRLJSBDC-UHFFFAOYSA-N
XLogP2.83
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.24
LogP ≤ 52.83
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
N-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dihydro-1-benzofuran-5-yl]-N-methylmethanesulfonamide
CID 171491337
N-[6-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide
CID 165395061
N-[5-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]-2,3-dihydro-1-benzofuran-6-yl]methanesulfonamide
CID 171491242
N-[5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methoxyphenyl]methanesulfonamide
CID 171491386
N-[6-[[5-bromo-2-[5-bromo-2-chloro-4-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide
CID 171491253
N-[6-[[5-bromo-2-[4-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-methoxy-5-methylanilino]pyrimidin-4-yl]amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide
CID 165395176
2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine
CID 163444806
2-[(6-chloro-2,3-dihydro-1-benzofuran-5-yl)amino]-7-methyl-9H-purin-8-one
CID 156572682
N-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine
CID 175424607
N-[6-[[5-chloro-2-[5-chloro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]-2,3-dihydro-1-benzofuran-5-yl]-N-methylmethanesulfonamide
CID 165395035
2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluoro-N,N-dimethylbenzenesulfonamide
CID 87330247

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2,5-dichloropyrimidin-4-yl)amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide?
The IUPAC name of N-[6-[(2,5-dichloropyrimidin-4-yl)amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide (CID 165395114) is N-[6-[(2,5-dichloropyrimidin-4-yl)amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide.
What is the SMILES notation for N-[6-[(2,5-dichloropyrimidin-4-yl)amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide?
The canonical SMILES for N-[6-[(2,5-dichloropyrimidin-4-yl)amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide is CS(=O)(=O)Nc1cc2c(cc1Nc1nc(Cl)ncc1Cl)OCC2.
What is the InChIKey of N-[6-[(2,5-dichloropyrimidin-4-yl)amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide?
The InChIKey is ACTMWSYRLJSBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O3S/c1-23(20,21)19-10-4-7-2-3-22-11(7)5-9(10)17-12-8(14)6-16-13(15)18-12/h4-6,19H,2-3H2,1H3,(H,16,17,18).
What are the key properties of N-[6-[(2,5-dichloropyrimidin-4-yl)amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide?
N-[6-[(2,5-dichloropyrimidin-4-yl)amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide has a molecular weight of 375.24 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,5-dichloropyrimidin-4-yl)amino]-2,3-dihydro-1-benzofuran-5-yl]methanesulfonamide is sourced from PubChem (CID 165395114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).