[3-[[4-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide

C17H16ClN5O3S — CID 53491929

IUPAC[3-[[4-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
SMILESCOc1ccc(Cl)cc1-c1ncnc(Nc2cccc(CS(N)(=O)=O)c2)n1
InChIInChI=1S/C17H16ClN5O3S/c1-26-15-6-5-12(18)8-14(15)16-20-10-21-17(23-16)22-13-4-2-3-11(7-13)9-27(19,24)25/h2-8,10H,9H2,1H3,(H2,19,24,25)(H,20,21,22,23)
InChIKeySRUBYCGENYKSRH-UHFFFAOYSA-N
MW405.87 g/mol
LogP2.73
Rot. Bonds6

About [3-[[4-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide

[3-[[4-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide (PubChem CID 53491929) has the molecular formula C17H16ClN5O3S and a molecular weight of 405.87 g/mol. Its IUPAC name is [3-[[4-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[3-[[4-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
PubChem CID53491929
Molecular FormulaC17H16ClN5O3S
Molecular Weight405.87 g/mol
Exact Mass405.07
IUPAC Name[3-[[4-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
SMILESCOc1ccc(Cl)cc1-c1ncnc(Nc2cccc(CS(N)(=O)=O)c2)n1
InChIInChI=1S/C17H16ClN5O3S/c1-26-15-6-5-12(18)8-14(15)16-20-10-21-17(23-16)22-13-4-2-3-11(7-13)9-27(19,24)25/h2-8,10H,9H2,1H3,(H2,19,24,25)(H,20,21,22,23)
InChIKeySRUBYCGENYKSRH-UHFFFAOYSA-N
XLogP2.73
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.87
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-[[4-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide with MolForge

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Related Compounds

[3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
CID 53492133
N-[3-[(amino-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine
CID 163635741
[3-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide
CID 25022388
N-[3-(tert-butylsulfonylmethyl)phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine
CID 66576431
4-(4-fluoro-2-methoxyphenyl)-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 66576515
4-(2-methoxy-3-pyridinyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 66576434
[ethyl-[[3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methyl]-oxo-λ6-sulfanylidene]cyanamide
CID 71617805
1-[[3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methyl-methyl-oxo-λ6-sulfanylidene]-3-methylurea
CID 71618136
N-[[3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methyl-methyl-oxo-λ6-sulfanylidene]-2-methylpropanamide
CID 171638023
ethyl N-[[3-[[4-(2-fluorophenyl)-1,3,5-triazin-2-yl]amino]phenyl]methyl-iodo-oxo-λ6-sulfanylidene]carbamate
CID 130292659
4-(4-fluoro-2-phenylmethoxyphenyl)-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine
CID 71618282
[3-(2-amino-5-chloroanilino)phenyl]methanesulfonamide
CID 176707049

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of [3-[[4-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide (CID 53491929) is [3-[[4-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for [3-[[4-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for [3-[[4-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide is COc1ccc(Cl)cc1-c1ncnc(Nc2cccc(CS(N)(=O)=O)c2)n1.
What is the InChIKey of [3-[[4-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide?
The InChIKey is SRUBYCGENYKSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O3S/c1-26-15-6-5-12(18)8-14(15)16-20-10-21-17(23-16)22-13-4-2-3-11(7-13)9-27(19,24)25/h2-8,10H,9H2,1H3,(H2,19,24,25)(H,20,21,22,23).
What are the key properties of [3-[[4-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide?
[3-[[4-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide has a molecular weight of 405.87 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 53491929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).