N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide

C18H21N3O2S — CID 53144736

IUPACN-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide
SMILESCCn1cc(CCNS(=O)(=O)c2ccccc2C)c2cccnc21
InChIInChI=1S/C18H21N3O2S/c1-3-21-13-15(16-8-6-11-19-18(16)21)10-12-20-24(22,23)17-9-5-4-7-14(17)2/h4-9,11,13,20H,3,10,12H2,1-2H3
InChIKeySMPWZAKWGMMLBJ-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.89
Rot. Bonds6

About N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide

N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 53144736) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide
PubChem CID53144736
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide
SMILESCCn1cc(CCNS(=O)(=O)c2ccccc2C)c2cccnc21
InChIInChI=1S/C18H21N3O2S/c1-3-21-13-15(16-8-6-11-19-18(16)21)10-12-20-24(22,23)17-9-5-4-7-14(17)2/h4-9,11,13,20H,3,10,12H2,1-2H3
InChIKeySMPWZAKWGMMLBJ-UHFFFAOYSA-N
XLogP2.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trimethyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144859
1-ethyl-N-[(2-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174043
2,4,5-trimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 53144918
2,3,5,6-tetramethyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144876
4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144823
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide
CID 53144756
3,5-dimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-1H-pyrazole-4-sulfonamide
CID 53144905
3-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 53144908
3-fluoro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 53144909
(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66414119
1-[(2R)-butan-2-yl]-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 95095604
1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide
CID 53144930

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide (CID 53144736) is N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide is CCn1cc(CCNS(=O)(=O)c2ccccc2C)c2cccnc21.
What is the InChIKey of N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is SMPWZAKWGMMLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-3-21-13-15(16-8-6-11-19-18(16)21)10-12-20-24(22,23)17-9-5-4-7-14(17)2/h4-9,11,13,20H,3,10,12H2,1-2H3.
What are the key properties of N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide?
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 53144736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).