N-[3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methanesulfonamide

C19H15FN4O2S — CID 90114852

IUPACN-[3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ncnc3[nH]c(-c4ccc(F)cc4)cc23)c1
InChIInChI=1S/C19H15FN4O2S/c1-27(25,26)24-15-4-2-3-13(9-15)18-16-10-17(23-19(16)22-11-21-18)12-5-7-14(20)8-6-12/h2-11,24H,1H3,(H,21,22,23)
InChIKeyJOSIWNKVNQHRJW-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.80
Rot. Bonds4

About N-[3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methanesulfonamide

N-[3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methanesulfonamide (PubChem CID 90114852) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methanesulfonamide
PubChem CID90114852
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC NameN-[3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ncnc3[nH]c(-c4ccc(F)cc4)cc23)c1
InChIInChI=1S/C19H15FN4O2S/c1-27(25,26)24-15-4-2-3-13(9-15)18-16-10-17(23-19(16)22-11-21-18)12-5-7-14(20)8-6-12/h2-11,24H,1H3,(H,21,22,23)
InChIKeyJOSIWNKVNQHRJW-UHFFFAOYSA-N
XLogP3.80
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]ethanesulfonamide
CID 90115007
N-cyclopropyl-3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]benzenesulfonamide
CID 90114832
N-[3-(2,5-dichloropyrimidin-4-yl)phenyl]methanesulfonamide
CID 87944678
4-[3-(4-fluorophenyl)-1-[(3R,5R)-5-methyl-1-methylsulfonylpyrrolidin-3-yl]pyrazol-4-yl]-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 176613917
3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide
CID 134208765
4-[4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzoic acid
CID 169204037
4-fluoro-N-[4-[6-(2,2,6,6-tetramethyl-3H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzenesulfonamide
CID 90114441
N-[3-[3-(5-fluoro-2-methylbenzoyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanesulfonamide
CID 67570948
4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzenesulfonamide
CID 71263613
N-[3-[3-(5-fluoro-2-methylbenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 11339236
6-(4-fluorophenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118356342
N-[3-[(3R)-3-(4-fluorophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 7081242

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methanesulfonamide (CID 90114852) is N-[3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2ncnc3[nH]c(-c4ccc(F)cc4)cc23)c1.
What is the InChIKey of N-[3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methanesulfonamide?
The InChIKey is JOSIWNKVNQHRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c1-27(25,26)24-15-4-2-3-13(9-15)18-16-10-17(23-19(16)22-11-21-18)12-5-7-14(20)8-6-12/h2-11,24H,1H3,(H,21,22,23).
What are the key properties of N-[3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methanesulfonamide?
N-[3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methanesulfonamide has a molecular weight of 382.42 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 90114852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).