1-(benzenesulfonyl)-4-N-methylpyrrolo[2,3-b]pyridine-4,5-diamine

C14H14N4O2S — CID 177039469

IUPAC1-(benzenesulfonyl)-4-N-methylpyrrolo[2,3-b]pyridine-4,5-diamine
SMILESCNc1c(N)cnc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14N4O2S/c1-16-13-11-7-8-18(14(11)17-9-12(13)15)21(19,20)10-5-3-2-4-6-10/h2-9H,15H2,1H3,(H,16,17)
InChIKeyONQINZZJBRZUCK-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.90
Rot. Bonds3

About 1-(benzenesulfonyl)-4-N-methylpyrrolo[2,3-b]pyridine-4,5-diamine

1-(benzenesulfonyl)-4-N-methylpyrrolo[2,3-b]pyridine-4,5-diamine (PubChem CID 177039469) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-N-methylpyrrolo[2,3-b]pyridine-4,5-diamine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-N-methylpyrrolo[2,3-b]pyridine-4,5-diamine
PubChem CID177039469
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name1-(benzenesulfonyl)-4-N-methylpyrrolo[2,3-b]pyridine-4,5-diamine
SMILESCNc1c(N)cnc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14N4O2S/c1-16-13-11-7-8-18(14(11)17-9-12(13)15)21(19,20)10-5-3-2-4-6-10/h2-9H,15H2,1H3,(H,16,17)
InChIKeyONQINZZJBRZUCK-UHFFFAOYSA-N
XLogP1.90
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentane-1-carboxylate
CID 78042404
1-[4-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]propan-2-one
CID 160695972
1-(benzenesulfonyl)-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrrolo[2,3-b]pyridine-4,5-diamine
CID 131730634
1-(benzenesulfonyl)-4-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrrolo[2,3-b]pyridine-4,5-diamine
CID 71212600
1-(benzenesulfonyl)-4-N-(1-benzylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine-4,5-diamine
CID 67346810
tert-butyl N-[3-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentyl]carbamate
CID 67345228
tert-butyl N-[(1R,3R)-3-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentyl]carbamate
CID 67352141
1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine
CID 150240734
1-(benzenesulfonyl)-4-N-(4,5,6,7-tetrahydro-3H-indol-6-yl)pyrrolo[2,3-b]pyridine-4,5-diamine
CID 58394971
1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine
CID 68762479
ethyl 10-(benzenesulfonyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene-4-carboxylate
CID 175730155
1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine
CID 45074561

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-N-methylpyrrolo[2,3-b]pyridine-4,5-diamine?
The IUPAC name of 1-(benzenesulfonyl)-4-N-methylpyrrolo[2,3-b]pyridine-4,5-diamine (CID 177039469) is 1-(benzenesulfonyl)-4-N-methylpyrrolo[2,3-b]pyridine-4,5-diamine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-N-methylpyrrolo[2,3-b]pyridine-4,5-diamine?
The canonical SMILES for 1-(benzenesulfonyl)-4-N-methylpyrrolo[2,3-b]pyridine-4,5-diamine is CNc1c(N)cnc2c1ccn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-4-N-methylpyrrolo[2,3-b]pyridine-4,5-diamine?
The InChIKey is ONQINZZJBRZUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-16-13-11-7-8-18(14(11)17-9-12(13)15)21(19,20)10-5-3-2-4-6-10/h2-9H,15H2,1H3,(H,16,17).
What are the key properties of 1-(benzenesulfonyl)-4-N-methylpyrrolo[2,3-b]pyridine-4,5-diamine?
1-(benzenesulfonyl)-4-N-methylpyrrolo[2,3-b]pyridine-4,5-diamine has a molecular weight of 302.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-N-methylpyrrolo[2,3-b]pyridine-4,5-diamine is sourced from PubChem (CID 177039469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).