N-[(2S)-2-hydroxypropyl]-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-sulfonamide

C16H18N4O3S — CID 25120623

IUPACN-[(2S)-2-hydroxypropyl]-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-sulfonamide
SMILESCc1cc2c(-c3ccc(S(=O)(=O)NC[C@H](C)O)cn3)ccnc2[nH]1
InChIInChI=1S/C16H18N4O3S/c1-10-7-14-13(5-6-17-16(14)20-10)15-4-3-12(9-18-15)24(22,23)19-8-11(2)21/h3-7,9,11,19,21H,8H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyKQFAHKUTMIQGNH-NSHDSACASA-N
MW346.41 g/mol
LogP1.59
Rot. Bonds5

About N-[(2S)-2-hydroxypropyl]-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-sulfonamide

N-[(2S)-2-hydroxypropyl]-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-sulfonamide (PubChem CID 25120623) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-sulfonamide
PubChem CID25120623
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-[(2S)-2-hydroxypropyl]-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-sulfonamide
SMILESCc1cc2c(-c3ccc(S(=O)(=O)NC[C@H](C)O)cn3)ccnc2[nH]1
InChIInChI=1S/C16H18N4O3S/c1-10-7-14-13(5-6-17-16(14)20-10)15-4-3-12(9-18-15)24(22,23)19-8-11(2)21/h3-7,9,11,19,21H,8H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyKQFAHKUTMIQGNH-NSHDSACASA-N
XLogP1.59
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-hydroxypropyl]-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-sulfonamide
CID 25120625
N-[(2R)-2-hydroxypropyl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 24984295
N-[(2S)-2-hydroxypropyl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 24984292
2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 59406224
4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylbenzenesulfonamide
CID 59744556
N-[(2R)-2-hydroxypropyl]-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide
CID 25122021
N-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 59744452
N-(2-aminoethyl)-6-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-sulfonamide;2,2,2-trifluoroacetic acid
CID 86643320
2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide
CID 107856808
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
N-butyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 68632750
6-(2-hydroxypropylsulfamoyl)-N-methyl-9H-pyrido[3,4-b]indole-1-carboxamide
CID 53380635

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-sulfonamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-sulfonamide (CID 25120623) is N-[(2S)-2-hydroxypropyl]-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-sulfonamide is Cc1cc2c(-c3ccc(S(=O)(=O)NC[C@H](C)O)cn3)ccnc2[nH]1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-sulfonamide?
The InChIKey is KQFAHKUTMIQGNH-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-10-7-14-13(5-6-17-16(14)20-10)15-4-3-12(9-18-15)24(22,23)19-8-11(2)21/h3-7,9,11,19,21H,8H2,1-2H3,(H,17,20)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-sulfonamide?
N-[(2S)-2-hydroxypropyl]-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 25120623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).