4-(dimethylamino)-N-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)benzenesulfonamide

C15H17N5O2S2 — CID 127051137

IUPAC4-(dimethylamino)-N-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3ccsc23)c1
InChIInChI=1S/C15H17N5O2S2/c1-16-24(21,22)10-4-5-13(20(2)3)12(8-10)19-15-14-11(6-7-23-14)17-9-18-15/h4-9,16H,1-3H3,(H,17,18,19)
InChIKeyWTUQKICTFCBUOL-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.41
Rot. Bonds5

About 4-(dimethylamino)-N-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)benzenesulfonamide

4-(dimethylamino)-N-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)benzenesulfonamide (PubChem CID 127051137) has the molecular formula C15H17N5O2S2 and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-(dimethylamino)-N-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)benzenesulfonamide
PubChem CID127051137
Molecular FormulaC15H17N5O2S2
Molecular Weight363.47 g/mol
Exact Mass363.08
IUPAC Name4-(dimethylamino)-N-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3ccsc23)c1
InChIInChI=1S/C15H17N5O2S2/c1-16-24(21,22)10-4-5-13(20(2)3)12(8-10)19-15-14-11(6-7-23-14)17-9-18-15/h4-9,16H,1-3H3,(H,17,18,19)
InChIKeyWTUQKICTFCBUOL-UHFFFAOYSA-N
XLogP2.41
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)benzenesulfonamide?
The IUPAC name of 4-(dimethylamino)-N-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)benzenesulfonamide (CID 127051137) is 4-(dimethylamino)-N-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-(dimethylamino)-N-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)benzenesulfonamide?
The canonical SMILES for 4-(dimethylamino)-N-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3ccsc23)c1.
What is the InChIKey of 4-(dimethylamino)-N-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)benzenesulfonamide?
The InChIKey is WTUQKICTFCBUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S2/c1-16-24(21,22)10-4-5-13(20(2)3)12(8-10)19-15-14-11(6-7-23-14)17-9-18-15/h4-9,16H,1-3H3,(H,17,18,19).
What are the key properties of 4-(dimethylamino)-N-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)benzenesulfonamide?
4-(dimethylamino)-N-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)benzenesulfonamide has a molecular weight of 363.47 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)benzenesulfonamide is sourced from PubChem (CID 127051137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).