4-ethoxy-N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide

C15H17N5O3S — CID 70648399

IUPAC4-ethoxy-N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC)cc1Nc1ncnc2[nH]ccc12
InChIInChI=1S/C15H17N5O3S/c1-3-23-13-5-4-10(24(21,22)16-2)8-12(13)20-15-11-6-7-17-14(11)18-9-19-15/h4-9,16H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyDPIPRYPHEIZRQI-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.01
Rot. Bonds6

About 4-ethoxy-N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide

4-ethoxy-N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide (PubChem CID 70648399) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
PubChem CID70648399
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC Name4-ethoxy-N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC)cc1Nc1ncnc2[nH]ccc12
InChIInChI=1S/C15H17N5O3S/c1-3-23-13-5-4-10(24(21,22)16-2)8-12(13)20-15-11-6-7-17-14(11)18-9-19-15/h4-9,16H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyDPIPRYPHEIZRQI-UHFFFAOYSA-N
XLogP2.01
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide (CID 70648399) is 4-ethoxy-N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NC)cc1Nc1ncnc2[nH]ccc12.
What is the InChIKey of 4-ethoxy-N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide?
The InChIKey is DPIPRYPHEIZRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-3-23-13-5-4-10(24(21,22)16-2)8-12(13)20-15-11-6-7-17-14(11)18-9-19-15/h4-9,16H,3H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-ethoxy-N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide?
4-ethoxy-N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide has a molecular weight of 347.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide is sourced from PubChem (CID 70648399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).