N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide

C19H23N3O3S — CID 59187111

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
SMILESCc1cc2c(-c3ccc(S(=O)(=O)N[C@H](CO)C(C)C)cc3)ccnc2[nH]1
InChIInChI=1S/C19H23N3O3S/c1-12(2)18(11-23)22-26(24,25)15-6-4-14(5-7-15)16-8-9-20-19-17(16)10-13(3)21-19/h4-10,12,18,22-23H,11H2,1-3H3,(H,20,21)/t18-/m1/s1
InChIKeyLMYVOMPQYOWIJO-GOSISDBHSA-N
MW373.48 g/mol
LogP2.83
Rot. Bonds6

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide (PubChem CID 59187111) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
PubChem CID59187111
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
SMILESCc1cc2c(-c3ccc(S(=O)(=O)N[C@H](CO)C(C)C)cc3)ccnc2[nH]1
InChIInChI=1S/C19H23N3O3S/c1-12(2)18(11-23)22-26(24,25)15-6-4-14(5-7-15)16-8-9-20-19-17(16)10-13(3)21-19/h4-10,12,18,22-23H,11H2,1-3H3,(H,20,21)/t18-/m1/s1
InChIKeyLMYVOMPQYOWIJO-GOSISDBHSA-N
XLogP2.83
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide (CID 59187111) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide is Cc1cc2c(-c3ccc(S(=O)(=O)N[C@H](CO)C(C)C)cc3)ccnc2[nH]1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The InChIKey is LMYVOMPQYOWIJO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12(2)18(11-23)22-26(24,25)15-6-4-14(5-7-15)16-8-9-20-19-17(16)10-13(3)21-19/h4-10,12,18,22-23H,11H2,1-3H3,(H,20,21)/t18-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide is sourced from PubChem (CID 59187111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).