3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide

C16H17N3O2S — CID 53144820

IUPAC3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCc2c[nH]c3ncccc23)c1
InChIInChI=1S/C16H17N3O2S/c1-12-4-2-5-14(10-12)22(20,21)19-9-7-13-11-18-16-15(13)6-3-8-17-16/h2-6,8,10-11,19H,7,9H2,1H3,(H,17,18)
InChIKeyOQZLHSGWCHXYGP-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.39
Rot. Bonds5

About 3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide

3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide (PubChem CID 53144820) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
PubChem CID53144820
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCc2c[nH]c3ncccc23)c1
InChIInChI=1S/C16H17N3O2S/c1-12-4-2-5-14(10-12)22(20,21)19-9-7-13-11-18-16-15(13)6-3-8-17-16/h2-6,8,10-11,19H,7,9H2,1H3,(H,17,18)
InChIKeyOQZLHSGWCHXYGP-UHFFFAOYSA-N
XLogP2.39
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144795
2-bromo-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144800
3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086816
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 49460269
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 110326434
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 3687846
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-methylbenzenesulfonamide
CID 110718842
3-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317603
4-(3-aminophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzenesulfonamide
CID 58086906
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113083568
3-methyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110717603

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide (CID 53144820) is 3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCCc2c[nH]c3ncccc23)c1.
What is the InChIKey of 3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The InChIKey is OQZLHSGWCHXYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-12-4-2-5-14(10-12)22(20,21)19-9-7-13-11-18-16-15(13)6-3-8-17-16/h2-6,8,10-11,19H,7,9H2,1H3,(H,17,18).
What are the key properties of 3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide?
3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 53144820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).