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

C17H19N3O3S — CID 24984446

IUPACN-(3-hydroxypropyl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
SMILESCc1cc2c(-c3ccc(S(=O)(=O)NCCCO)cc3)ccnc2[nH]1
InChIInChI=1S/C17H19N3O3S/c1-12-11-16-15(7-9-18-17(16)20-12)13-3-5-14(6-4-13)24(22,23)19-8-2-10-21/h3-7,9,11,19,21H,2,8,10H2,1H3,(H,18,20)
InChIKeySKUDDBZPRWJOJL-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.20
Rot. Bonds6

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

N-(3-hydroxypropyl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide (PubChem CID 24984446) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
PubChem CID24984446
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(3-hydroxypropyl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
SMILESCc1cc2c(-c3ccc(S(=O)(=O)NCCCO)cc3)ccnc2[nH]1
InChIInChI=1S/C17H19N3O3S/c1-12-11-16-15(7-9-18-17(16)20-12)13-3-5-14(6-4-13)24(22,23)19-8-2-10-21/h3-7,9,11,19,21H,2,8,10H2,1H3,(H,18,20)
InChIKeySKUDDBZPRWJOJL-UHFFFAOYSA-N
XLogP2.20
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide (CID 24984446) is N-(3-hydroxypropyl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide is Cc1cc2c(-c3ccc(S(=O)(=O)NCCCO)cc3)ccnc2[nH]1.
What is the InChIKey of N-(3-hydroxypropyl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The InChIKey is SKUDDBZPRWJOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12-11-16-15(7-9-18-17(16)20-12)13-3-5-14(6-4-13)24(22,23)19-8-2-10-21/h3-7,9,11,19,21H,2,8,10H2,1H3,(H,18,20).
What are the key properties of N-(3-hydroxypropyl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
N-(3-hydroxypropyl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide is sourced from PubChem (CID 24984446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).