5-chloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide

C19H20ClN5O3S2 — CID 122326160

IUPAC5-chloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide
SMILESCc1cc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H20ClN5O3S2/c1-13-12-17(23-19(21-13)25-8-10-28-11-9-25)22-14-2-4-15(5-3-14)24-30(26,27)18-7-6-16(20)29-18/h2-7,12,24H,8-11H2,1H3,(H,21,22,23)
InChIKeyYRVJGMXVFMBAPO-UHFFFAOYSA-N
MW465.99 g/mol
LogP3.88
Rot. Bonds6

About 5-chloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide (PubChem CID 122326160) has the molecular formula C19H20ClN5O3S2 and a molecular weight of 465.99 g/mol. Its IUPAC name is 5-chloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide
PubChem CID122326160
Molecular FormulaC19H20ClN5O3S2
Molecular Weight465.99 g/mol
Exact Mass465.07
IUPAC Name5-chloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide
SMILESCc1cc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H20ClN5O3S2/c1-13-12-17(23-19(21-13)25-8-10-28-11-9-25)22-14-2-4-15(5-3-14)24-30(26,27)18-7-6-16(20)29-18/h2-7,12,24H,8-11H2,1H3,(H,21,22,23)
InChIKeyYRVJGMXVFMBAPO-UHFFFAOYSA-N
XLogP3.88
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-ethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide
CID 122326162
N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122326208
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 53048150
3-acetyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122326167
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1-phenylmethanesulfonamide
CID 122325986
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122326193
1-(4-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide
CID 122326174
5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 19683779
6-methyl-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112912347
2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 53047890
N-(3,5-dimethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912311
5-chloro-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide
CID 122296879

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide (CID 122326160) is 5-chloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide is Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 5-chloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide?
The InChIKey is YRVJGMXVFMBAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3S2/c1-13-12-17(23-19(21-13)25-8-10-28-11-9-25)22-14-2-4-15(5-3-14)24-30(26,27)18-7-6-16(20)29-18/h2-7,12,24H,8-11H2,1H3,(H,21,22,23).
What are the key properties of 5-chloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide has a molecular weight of 465.99 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 122326160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).