N-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide

C15H15N3O2S — CID 53174002

IUPACN-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2ccccc2)c2cccnc21
InChIInChI=1S/C15H15N3O2S/c1-18-11-14(13-8-5-9-16-15(13)18)21(19,20)17-10-12-6-3-2-4-7-12/h2-9,11,17H,10H2,1H3
InChIKeyUJBHPOVBPVHSIK-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.05
Rot. Bonds4

About N-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide

N-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 53174002) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID53174002
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2ccccc2)c2cccnc21
InChIInChI=1S/C15H15N3O2S/c1-18-11-14(13-8-5-9-16-15(13)18)21(19,20)17-10-12-6-3-2-4-7-12/h2-9,11,17H,10H2,1H3
InChIKeyUJBHPOVBPVHSIK-UHFFFAOYSA-N
XLogP2.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174225
1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174135
N-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174001
1-ethyl-N-[(2-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174043
1-butyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174219
2-methyl-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine
CID 66412030
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide
CID 53144756
N-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53040471
N-benzylnaphthalene-1-sulfonamide
CID 3844256
N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine
CID 82653823
N-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174101
N-benzyl-3-fluoropyridine-2-sulfonamide
CID 103299072

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide (CID 53174002) is N-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide is Cn1cc(S(=O)(=O)NCc2ccccc2)c2cccnc21.
What is the InChIKey of N-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is UJBHPOVBPVHSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-18-11-14(13-8-5-9-16-15(13)18)21(19,20)17-10-12-6-3-2-4-7-12/h2-9,11,17H,10H2,1H3.
What are the key properties of N-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide?
N-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 53174002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).