N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide

C14H17BrN2O3S — CID 116784833

IUPACN-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C14H17BrN2O3S/c1-10(2)20-6-7-21(18,19)17-13-5-3-4-11-8-12(15)9-16-14(11)13/h3-5,8-10,17H,6-7H2,1-2H3
InChIKeyQGCUNQMUOSECGA-UHFFFAOYSA-N
MW373.27 g/mol
LogP3.16
Rot. Bonds6

About N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide

N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 116784833) has the molecular formula C14H17BrN2O3S and a molecular weight of 373.27 g/mol. Its IUPAC name is N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide
PubChem CID116784833
Molecular FormulaC14H17BrN2O3S
Molecular Weight373.27 g/mol
Exact Mass372.01
IUPAC NameN-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C14H17BrN2O3S/c1-10(2)20-6-7-21(18,19)17-13-5-3-4-11-8-12(15)9-16-14(11)13/h3-5,8-10,17H,6-7H2,1-2H3
InChIKeyQGCUNQMUOSECGA-UHFFFAOYSA-N
XLogP3.16
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide (CID 116784833) is N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)Nc1cccc2cc(Br)cnc12.
What is the InChIKey of N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is QGCUNQMUOSECGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3S/c1-10(2)20-6-7-21(18,19)17-13-5-3-4-11-8-12(15)9-16-14(11)13/h3-5,8-10,17H,6-7H2,1-2H3.
What are the key properties of N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide?
N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 373.27 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 116784833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).