2-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-2-yl]ethanol

C15H13ClN2O3S — CID 138491902

IUPAC2-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-2-yl]ethanol
SMILESO=S(=O)(c1ccccc1)n1c(CCO)cc2c(Cl)ccnc21
InChIInChI=1S/C15H13ClN2O3S/c16-14-6-8-17-15-13(14)10-11(7-9-19)18(15)22(20,21)12-4-2-1-3-5-12/h1-6,8,10,19H,7,9H2
InChIKeyFSLVBLXMXZYWRL-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.46
Rot. Bonds4

About 2-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-2-yl]ethanol

2-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-2-yl]ethanol (PubChem CID 138491902) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-2-yl]ethanol
PubChem CID138491902
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name2-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-2-yl]ethanol
SMILESO=S(=O)(c1ccccc1)n1c(CCO)cc2c(Cl)ccnc21
InChIInChI=1S/C15H13ClN2O3S/c16-14-6-8-17-15-13(14)10-11(7-9-19)18(15)22(20,21)12-4-2-1-3-5-12/h1-6,8,10,19H,7,9H2
InChIKeyFSLVBLXMXZYWRL-UHFFFAOYSA-N
XLogP2.46
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]phenyl]ethanol
CID 68998083
[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methyl hydrogen sulfite
CID 89292273
[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]boronic acid
CID 57416458
1-(benzenesulfonyl)-2-iodo-4-methylpyrrolo[2,3-b]pyridine
CID 74888568
4-chloro-2-(1H-indol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 141080529
1-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]ethanone
CID 59744435
4-[3-[1-(benzenesulfonyl)-4-chloropyrrolo[3,2-c]pyridin-2-yl]propyl]morpholine
CID 118140186
9-(benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole
CID 46186693
1-(benzenesulfonyl)-2-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine
CID 68635063
2-[[1-(benzenesulfonyl)-4-[1-ethyl-3-(4-nitrophenyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl-ethylamino]ethanol
CID 69000627
2-[9-(benzenesulfonyl)pyrido[2,3-b]indol-6-yl]ethanamine
CID 58514526
N-[4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]phenyl]ethanesulfonamide
CID 91264428

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-2-yl]ethanol?
The IUPAC name of 2-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-2-yl]ethanol (CID 138491902) is 2-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-2-yl]ethanol?
The canonical SMILES for 2-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-2-yl]ethanol is O=S(=O)(c1ccccc1)n1c(CCO)cc2c(Cl)ccnc21.
What is the InChIKey of 2-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-2-yl]ethanol?
The InChIKey is FSLVBLXMXZYWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c16-14-6-8-17-15-13(14)10-11(7-9-19)18(15)22(20,21)12-4-2-1-3-5-12/h1-6,8,10,19H,7,9H2.
What are the key properties of 2-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-2-yl]ethanol?
2-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-2-yl]ethanol has a molecular weight of 336.80 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-2-yl]ethanol is sourced from PubChem (CID 138491902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).