4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine

C15H17N5O2S — CID 166509596

IUPAC4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC(C)(NS(N)(=O)=O)c1ccc(-c2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C15H17N5O2S/c1-15(2,20-23(16,21)22)11-5-3-10(4-6-11)13-12-7-8-17-14(12)19-9-18-13/h3-9,20H,1-2H3,(H2,16,21,22)(H,17,18,19)
InChIKeyAJLOVEORFYGVOQ-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.65
Rot. Bonds4

About 4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine

4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 166509596) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID166509596
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC(C)(NS(N)(=O)=O)c1ccc(-c2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C15H17N5O2S/c1-15(2,20-23(16,21)22)11-5-3-10(4-6-11)13-12-7-8-17-14(12)19-9-18-13/h3-9,20H,1-2H3,(H2,16,21,22)(H,17,18,19)
InChIKeyAJLOVEORFYGVOQ-UHFFFAOYSA-N
XLogP1.65
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propan-2-ylsulfamoyl]carbamate
CID 166509545
1-oxo-4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-2H-phthalazine
CID 157040153
N-tert-butyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide
CID 71019653
N-benzyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide
CID 117078224
N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide
CID 118139095
4-tert-butyl-N-[[2-ethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
CID 118139180
4-methyl-4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]pentane-1-sulfonic acid
CID 90722159
4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 24963935
4-[3-methyl-5-(4-methylphenyl)triazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 142744346
5-tert-butyl-N-[[2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]pyridine-2-carboxamide
CID 118139094
2-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide
CID 167773837
4-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 74221294

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine (CID 166509596) is 4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine is CC(C)(NS(N)(=O)=O)c1ccc(-c2ncnc3[nH]ccc23)cc1.
What is the InChIKey of 4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is AJLOVEORFYGVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-15(2,20-23(16,21)22)11-5-3-10(4-6-11)13-12-7-8-17-14(12)19-9-18-13/h3-9,20H,1-2H3,(H2,16,21,22)(H,17,18,19).
What are the key properties of 4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine?
4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 331.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 166509596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).