N-methyl-N-[3-[2-(3-nitrosoanilino)pyrimidin-4-yl]phenyl]methanesulfonamide

C18H17N5O3S — CID 89267402

IUPACN-methyl-N-[3-[2-(3-nitrosoanilino)pyrimidin-4-yl]phenyl]methanesulfonamide
SMILESCN(c1cccc(-c2ccnc(Nc3cccc(N=O)c3)n2)c1)S(C)(=O)=O
InChIInChI=1S/C18H17N5O3S/c1-23(27(2,25)26)16-8-3-5-13(11-16)17-9-10-19-18(21-17)20-14-6-4-7-15(12-14)22-24/h3-12H,1-2H3,(H,19,20,21)
InChIKeyDIUWNQNXMSFAIB-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.68
Rot. Bonds6

About N-methyl-N-[3-[2-(3-nitrosoanilino)pyrimidin-4-yl]phenyl]methanesulfonamide

N-methyl-N-[3-[2-(3-nitrosoanilino)pyrimidin-4-yl]phenyl]methanesulfonamide (PubChem CID 89267402) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-methyl-N-[3-[2-(3-nitrosoanilino)pyrimidin-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[3-[2-(3-nitrosoanilino)pyrimidin-4-yl]phenyl]methanesulfonamide
PubChem CID89267402
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC NameN-methyl-N-[3-[2-(3-nitrosoanilino)pyrimidin-4-yl]phenyl]methanesulfonamide
SMILESCN(c1cccc(-c2ccnc(Nc3cccc(N=O)c3)n2)c1)S(C)(=O)=O
InChIInChI=1S/C18H17N5O3S/c1-23(27(2,25)26)16-8-3-5-13(11-16)17-9-10-19-18(21-17)20-14-6-4-7-15(12-14)22-24/h3-12H,1-2H3,(H,19,20,21)
InChIKeyDIUWNQNXMSFAIB-UHFFFAOYSA-N
XLogP3.68
TPSA104.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(diethylaminomethyl)phenyl]-N-(3-nitrosophenyl)pyrimidin-2-amine
CID 89267377
4-[3-[[ethyl(propan-2-yl)amino]methyl]phenyl]-N-(3-nitrosophenyl)pyrimidin-2-amine
CID 89267376
N-(3-nitrosophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 89267386
3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 14347136
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
3-N-[4-(3-aminophenyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 11492825
3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347156
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
N-[4-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide
CID 25101887
4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 170970812
N-[4-[[(4-methylpiperazin-1-yl)amino]methyl]phenyl]-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanesulfonamide
CID 68819674
N-[3-(5-amino-1,2-oxazol-3-yl)phenyl]-N-methylmethanesulfonamide
CID 117421417

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[2-(3-nitrosoanilino)pyrimidin-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[3-[2-(3-nitrosoanilino)pyrimidin-4-yl]phenyl]methanesulfonamide (CID 89267402) is N-methyl-N-[3-[2-(3-nitrosoanilino)pyrimidin-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[3-[2-(3-nitrosoanilino)pyrimidin-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[3-[2-(3-nitrosoanilino)pyrimidin-4-yl]phenyl]methanesulfonamide is CN(c1cccc(-c2ccnc(Nc3cccc(N=O)c3)n2)c1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[3-[2-(3-nitrosoanilino)pyrimidin-4-yl]phenyl]methanesulfonamide?
The InChIKey is DIUWNQNXMSFAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-23(27(2,25)26)16-8-3-5-13(11-16)17-9-10-19-18(21-17)20-14-6-4-7-15(12-14)22-24/h3-12H,1-2H3,(H,19,20,21).
What are the key properties of N-methyl-N-[3-[2-(3-nitrosoanilino)pyrimidin-4-yl]phenyl]methanesulfonamide?
N-methyl-N-[3-[2-(3-nitrosoanilino)pyrimidin-4-yl]phenyl]methanesulfonamide has a molecular weight of 383.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[2-(3-nitrosoanilino)pyrimidin-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 89267402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).