5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

C15H17BrN2O3S — CID 27266270

IUPAC5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCCOc1ccc(Br)cc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C15H17BrN2O3S/c1-2-8-21-14-6-5-13(16)9-15(14)22(19,20)18-11-12-4-3-7-17-10-12/h3-7,9-10,18H,2,8,11H2,1H3
InChIKeyMSTIRZIBWSHMMI-UHFFFAOYSA-N
MW385.28 g/mol
LogP3.11
Rot. Bonds7

About 5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 27266270) has the molecular formula C15H17BrN2O3S and a molecular weight of 385.28 g/mol. Its IUPAC name is 5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID27266270
Molecular FormulaC15H17BrN2O3S
Molecular Weight385.28 g/mol
Exact Mass384.01
IUPAC Name5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCCOc1ccc(Br)cc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C15H17BrN2O3S/c1-2-8-21-14-6-5-13(16)9-15(14)22(19,20)18-11-12-4-3-7-17-10-12/h3-7,9-10,18H,2,8,11H2,1H3
InChIKeyMSTIRZIBWSHMMI-UHFFFAOYSA-N
XLogP3.11
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 40665032
5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 977109
5-amino-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 79961726
5-bromo-2-ethoxy-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122443
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline
CID 83961735
5-bromo-2-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673071
N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide
CID 15943814
3-methoxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100575412
5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110757909
4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 6461722
5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 59436024

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 27266270) is 5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is CCCOc1ccc(Br)cc1S(=O)(=O)NCc1cccnc1.
What is the InChIKey of 5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is MSTIRZIBWSHMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3S/c1-2-8-21-14-6-5-13(16)9-15(14)22(19,20)18-11-12-4-3-7-17-10-12/h3-7,9-10,18H,2,8,11H2,1H3.
What are the key properties of 5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 385.28 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 27266270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).