N-[2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide

C17H19N7O2S — CID 71813142

IUPACN-[2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1Nc1ncnc(Nc2ccc(CN)cc2)n1
InChIInChI=1S/C17H19N7O2S/c1-27(25,26)24-15-5-3-2-4-14(15)22-17-20-11-19-16(23-17)21-13-8-6-12(10-18)7-9-13/h2-9,11,24H,10,18H2,1H3,(H2,19,20,21,22,23)
InChIKeyUJQPBPXKMKHVAR-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.19
Rot. Bonds7

About N-[2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide

N-[2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide (PubChem CID 71813142) has the molecular formula C17H19N7O2S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
PubChem CID71813142
Molecular FormulaC17H19N7O2S
Molecular Weight385.45 g/mol
Exact Mass385.13
IUPAC NameN-[2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1Nc1ncnc(Nc2ccc(CN)cc2)n1
InChIInChI=1S/C17H19N7O2S/c1-27(25,26)24-15-5-3-2-4-14(15)22-17-20-11-19-16(23-17)21-13-8-6-12(10-18)7-9-13/h2-9,11,24H,10,18H2,1H3,(H2,19,20,21,22,23)
InChIKeyUJQPBPXKMKHVAR-UHFFFAOYSA-N
XLogP2.19
TPSA134.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-propan-2-ylbenzamide
CID 71813145
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
N-[2-[[5-fluoro-2-[2-(methanesulfonamido)anilino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 22060597
N-[2-[[2-(2H-benzotriazol-5-ylamino)-5-fluoropyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 58236446
CID 172854912
CID 172854912
4-(aminomethyl)-N-(methylsulfamoyl)aniline
CID 112704468
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
N-[2-[[5-fluoro-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 58236431
N-[2-[[5-chloro-2-[3-(2-hydroxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 58236344
N-[2-[[5-fluoro-2-(4-methyl-3-nitrosoanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 88956661
2-[3-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]phenoxy]acetic acid
CID 66884644
N-[2-(acridin-9-ylamino)phenyl]methanesulfonamide
CID 10428796

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide (CID 71813142) is N-[2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1Nc1ncnc(Nc2ccc(CN)cc2)n1.
What is the InChIKey of N-[2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide?
The InChIKey is UJQPBPXKMKHVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2S/c1-27(25,26)24-15-5-3-2-4-14(15)22-17-20-11-19-16(23-17)21-13-8-6-12(10-18)7-9-13/h2-9,11,24H,10,18H2,1H3,(H2,19,20,21,22,23).
What are the key properties of N-[2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide?
N-[2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 2.19, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 71813142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).