5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxybenzenesulfonamide

C19H15ClN4O3S2 — CID 4885462

IUPAC5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1S(N)(=O)=O
InChIInChI=1S/C19H15ClN4O3S2/c1-27-15-7-6-13(8-16(15)29(21,25)26)24-18-17-14(9-28-19(17)23-10-22-18)11-2-4-12(20)5-3-11/h2-10H,1H3,(H2,21,25,26)(H,22,23,24)
InChIKeyXLMADRYUQKJRRK-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.41
Rot. Bonds5

About 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxybenzenesulfonamide

5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxybenzenesulfonamide (PubChem CID 4885462) has the molecular formula C19H15ClN4O3S2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxybenzenesulfonamide
PubChem CID4885462
Molecular FormulaC19H15ClN4O3S2
Molecular Weight446.94 g/mol
Exact Mass446.03
IUPAC Name5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1S(N)(=O)=O
InChIInChI=1S/C19H15ClN4O3S2/c1-27-15-7-6-13(8-16(15)29(21,25)26)24-18-17-14(9-28-19(17)23-10-22-18)11-2-4-12(20)5-3-11/h2-10H,1H3,(H2,21,25,26)(H,22,23,24)
InChIKeyXLMADRYUQKJRRK-UHFFFAOYSA-N
XLogP4.41
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 20964581
N-(3,4-dimethoxyphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7636536
5-(4-chlorophenyl)-N-(3,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 3820162
4-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide
CID 21011137
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010012
5-(3,4-dimethoxyphenyl)-N-(4-methoxy-3-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010530
1-[4-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]ethanone
CID 21009523
methyl 5-[[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-2-methoxybenzoate
CID 18282558
5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010174
3-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 20997842
5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 46347959
5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 2401377

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxybenzenesulfonamide (CID 4885462) is 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxybenzenesulfonamide is COc1ccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1S(N)(=O)=O.
What is the InChIKey of 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxybenzenesulfonamide?
The InChIKey is XLMADRYUQKJRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3S2/c1-27-15-7-6-13(8-16(15)29(21,25)26)24-18-17-14(9-28-19(17)23-10-22-18)11-2-4-12(20)5-3-11/h2-10H,1H3,(H2,21,25,26)(H,22,23,24).
What are the key properties of 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxybenzenesulfonamide?
5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxybenzenesulfonamide has a molecular weight of 446.94 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 4885462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).