(Z)-[5-[[5-fluoro-4-[[(5Z)-5-(methylsulfamoylmethylidene)cyclohexa-1,3-dien-1-yl]amino]pyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methanesulfonamide

C19H21FN6O4S2 — CID 66910163

IUPAC(Z)-[5-[[5-fluoro-4-[[(5Z)-5-(methylsulfamoylmethylidene)cyclohexa-1,3-dien-1-yl]amino]pyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methanesulfonamide
SMILESCNS(=O)(=O)/C=C1\C=CC=C(Nc2nc(NC3=CC=C/C(=C\S(N)(=O)=O)C3)ncc2F)C1
InChIInChI=1S/C19H21FN6O4S2/c1-22-32(29,30)12-14-5-3-6-15(9-14)24-18-17(20)10-23-19(26-18)25-16-7-2-4-13(8-16)11-31(21,27)28/h2-7,10-12,22H,8-9H2,1H3,(H2,21,27,28)(H2,23,24,25,26)/b13-11+,14-12+
InChIKeySRQQNVYHNKAJQS-PHEQNACWSA-N
MW480.55 g/mol
LogP1.73
Rot. Bonds7

About (Z)-[5-[[5-fluoro-4-[[(5Z)-5-(methylsulfamoylmethylidene)cyclohexa-1,3-dien-1-yl]amino]pyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methanesulfonamide

(Z)-[5-[[5-fluoro-4-[[(5Z)-5-(methylsulfamoylmethylidene)cyclohexa-1,3-dien-1-yl]amino]pyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methanesulfonamide (PubChem CID 66910163) has the molecular formula C19H21FN6O4S2 and a molecular weight of 480.55 g/mol. Its IUPAC name is (Z)-[5-[[5-fluoro-4-[[(5Z)-5-(methylsulfamoylmethylidene)cyclohexa-1,3-dien-1-yl]amino]pyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methanesulfonamide.

Molecular Properties

Compound Name(Z)-[5-[[5-fluoro-4-[[(5Z)-5-(methylsulfamoylmethylidene)cyclohexa-1,3-dien-1-yl]amino]pyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methanesulfonamide
PubChem CID66910163
Molecular FormulaC19H21FN6O4S2
Molecular Weight480.55 g/mol
Exact Mass480.10
IUPAC Name(Z)-[5-[[5-fluoro-4-[[(5Z)-5-(methylsulfamoylmethylidene)cyclohexa-1,3-dien-1-yl]amino]pyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methanesulfonamide
SMILESCNS(=O)(=O)/C=C1\C=CC=C(Nc2nc(NC3=CC=C/C(=C\S(N)(=O)=O)C3)ncc2F)C1
InChIInChI=1S/C19H21FN6O4S2/c1-22-32(29,30)12-14-5-3-6-15(9-14)24-18-17(20)10-23-19(26-18)25-16-7-2-4-13(8-16)11-31(21,27)28/h2-7,10-12,22H,8-9H2,1H3,(H2,21,27,28)(H2,23,24,25,26)/b13-11+,14-12+
InChIKeySRQQNVYHNKAJQS-PHEQNACWSA-N
XLogP1.73
TPSA156.17 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (Z)-[5-[[5-fluoro-4-[[(5Z)-5-(methylsulfamoylmethylidene)cyclohexa-1,3-dien-1-yl]amino]pyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

[5-[[4-[[5-(cyclopropylsulfamoylmethylidene)cyclohexa-1,3-dien-1-yl]amino]-5-fluoropyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methanesulfonamide
CID 66910144
[5-[[4-(4-chloro-3-methoxyanilino)-5-fluoropyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methanesulfonamide
CID 68955137
3-[[4-[[5-(dimethylsulfamoylmethylidene)cyclohexa-1,3-dien-1-yl]amino]-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 69262680
2-[[5-[[5-fluoro-4-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methoxy]-N-methylacetamide
CID 151399515
(E)-[3-[[4-(4-chloro-3-methoxyanilino)-5-fluoropyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methanesulfonamide
CID 25065536
3-[[4-[[3-(cyclopropylsulfamoylmethylidene)cyclohexa-1,5-dien-1-yl]amino]-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 69262825
3-[[4-[[3-(dimethylsulfamoylmethylidene)cyclohexa-1,5-dien-1-yl]amino]-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 69262679
2-N-(4-amino-5H-chromen-6-yl)-4-N-(3,5-dimethoxyphenyl)-5-fluoropyrimidine-2,4-diamine
CID 66557088
3-[[4-(3-aminoanilino)-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 59174760
N-[2-[[5-fluoro-2-[2-(methanesulfonamido)anilino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 22060597
cis-(1S,2R)-2-[[5-fluoro-2-[[5-(methoxymethylidene)-4-(4-methylpiperazin-1-yl)cyclohexa-1,3-dien-1-yl]amino]pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
CID 68683774
3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propane-1-sulfonamide
CID 80818913

Frequently Asked Questions

What is the IUPAC name of (Z)-[5-[[5-fluoro-4-[[(5Z)-5-(methylsulfamoylmethylidene)cyclohexa-1,3-dien-1-yl]amino]pyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methanesulfonamide?
The IUPAC name of (Z)-[5-[[5-fluoro-4-[[(5Z)-5-(methylsulfamoylmethylidene)cyclohexa-1,3-dien-1-yl]amino]pyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methanesulfonamide (CID 66910163) is (Z)-[5-[[5-fluoro-4-[[(5Z)-5-(methylsulfamoylmethylidene)cyclohexa-1,3-dien-1-yl]amino]pyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methanesulfonamide.
What is the SMILES notation for (Z)-[5-[[5-fluoro-4-[[(5Z)-5-(methylsulfamoylmethylidene)cyclohexa-1,3-dien-1-yl]amino]pyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methanesulfonamide?
The canonical SMILES for (Z)-[5-[[5-fluoro-4-[[(5Z)-5-(methylsulfamoylmethylidene)cyclohexa-1,3-dien-1-yl]amino]pyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methanesulfonamide is CNS(=O)(=O)/C=C1\C=CC=C(Nc2nc(NC3=CC=C/C(=C\S(N)(=O)=O)C3)ncc2F)C1.
What is the InChIKey of (Z)-[5-[[5-fluoro-4-[[(5Z)-5-(methylsulfamoylmethylidene)cyclohexa-1,3-dien-1-yl]amino]pyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methanesulfonamide?
The InChIKey is SRQQNVYHNKAJQS-PHEQNACWSA-N. The full InChI is InChI=1S/C19H21FN6O4S2/c1-22-32(29,30)12-14-5-3-6-15(9-14)24-18-17(20)10-23-19(26-18)25-16-7-2-4-13(8-16)11-31(21,27)28/h2-7,10-12,22H,8-9H2,1H3,(H2,21,27,28)(H2,23,24,25,26)/b13-11+,14-12+.
What are the key properties of (Z)-[5-[[5-fluoro-4-[[(5Z)-5-(methylsulfamoylmethylidene)cyclohexa-1,3-dien-1-yl]amino]pyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methanesulfonamide?
(Z)-[5-[[5-fluoro-4-[[(5Z)-5-(methylsulfamoylmethylidene)cyclohexa-1,3-dien-1-yl]amino]pyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methanesulfonamide has a molecular weight of 480.55 g/mol, XLogP of 1.73, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[5-[[5-fluoro-4-[[(5Z)-5-(methylsulfamoylmethylidene)cyclohexa-1,3-dien-1-yl]amino]pyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-ylidene]methanesulfonamide is sourced from PubChem (CID 66910163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).