N-[2-[(6-chloropyrimidin-4-yl)amino]phenyl]-N-methylmethanesulfonamide

C12H13ClN4O2S — CID 155414964

IUPACN-[2-[(6-chloropyrimidin-4-yl)amino]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccccc1Nc1cc(Cl)ncn1)S(C)(=O)=O
InChIInChI=1S/C12H13ClN4O2S/c1-17(20(2,18)19)10-6-4-3-5-9(10)16-12-7-11(13)14-8-15-12/h3-8H,1-2H3,(H,14,15,16)
InChIKeyXSYVRXQUUBHRDT-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.27
Rot. Bonds4

About N-[2-[(6-chloropyrimidin-4-yl)amino]phenyl]-N-methylmethanesulfonamide

N-[2-[(6-chloropyrimidin-4-yl)amino]phenyl]-N-methylmethanesulfonamide (PubChem CID 155414964) has the molecular formula C12H13ClN4O2S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-[2-[(6-chloropyrimidin-4-yl)amino]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(6-chloropyrimidin-4-yl)amino]phenyl]-N-methylmethanesulfonamide
PubChem CID155414964
Molecular FormulaC12H13ClN4O2S
Molecular Weight312.78 g/mol
Exact Mass312.04
IUPAC NameN-[2-[(6-chloropyrimidin-4-yl)amino]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccccc1Nc1cc(Cl)ncn1)S(C)(=O)=O
InChIInChI=1S/C12H13ClN4O2S/c1-17(20(2,18)19)10-6-4-3-5-9(10)16-12-7-11(13)14-8-15-12/h3-8H,1-2H3,(H,14,15,16)
InChIKeyXSYVRXQUUBHRDT-UHFFFAOYSA-N
XLogP2.27
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine
CID 61277140
6-chloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine
CID 145311319
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
6-chloro-N-phenylpyrimidin-4-amine;hydrochloride
CID 86673656
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[6-[2-[methyl(methylsulfonyl)amino]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;phosphane
CID 155414970
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
2-chloro-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 166403944
1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 79033222
4-[[5-chloro-4-[2-[methyl(methylsulfonyl)amino]anilino]pyrimidin-2-yl]amino]benzoic acid
CID 168953985
N-methyl-N-[2-[[3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]methanesulfonamide
CID 175909578
6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine
CID 63548572
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-chloropyrimidin-4-yl)amino]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[(6-chloropyrimidin-4-yl)amino]phenyl]-N-methylmethanesulfonamide (CID 155414964) is N-[2-[(6-chloropyrimidin-4-yl)amino]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[(6-chloropyrimidin-4-yl)amino]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[(6-chloropyrimidin-4-yl)amino]phenyl]-N-methylmethanesulfonamide is CN(c1ccccc1Nc1cc(Cl)ncn1)S(C)(=O)=O.
What is the InChIKey of N-[2-[(6-chloropyrimidin-4-yl)amino]phenyl]-N-methylmethanesulfonamide?
The InChIKey is XSYVRXQUUBHRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2S/c1-17(20(2,18)19)10-6-4-3-5-9(10)16-12-7-11(13)14-8-15-12/h3-8H,1-2H3,(H,14,15,16).
What are the key properties of N-[2-[(6-chloropyrimidin-4-yl)amino]phenyl]-N-methylmethanesulfonamide?
N-[2-[(6-chloropyrimidin-4-yl)amino]phenyl]-N-methylmethanesulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-chloropyrimidin-4-yl)amino]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 155414964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).