N-[3-(4-bromophenoxy)-4-pyridinyl]methanesulfonamide

C12H11BrN2O3S — CID 11152069

IUPACN-[3-(4-bromophenoxy)-4-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccncc1Oc1ccc(Br)cc1
InChIInChI=1S/C12H11BrN2O3S/c1-19(16,17)15-11-6-7-14-8-12(11)18-10-4-2-9(13)3-5-10/h2-8H,1H3,(H,14,15)
InChIKeyPOERZTJYPCMFQW-UHFFFAOYSA-N
MW343.20 g/mol
LogP3.01
Rot. Bonds4

About N-[3-(4-bromophenoxy)-4-pyridinyl]methanesulfonamide

N-[3-(4-bromophenoxy)-4-pyridinyl]methanesulfonamide (PubChem CID 11152069) has the molecular formula C12H11BrN2O3S and a molecular weight of 343.20 g/mol. Its IUPAC name is N-[3-(4-bromophenoxy)-4-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-bromophenoxy)-4-pyridinyl]methanesulfonamide
PubChem CID11152069
Molecular FormulaC12H11BrN2O3S
Molecular Weight343.20 g/mol
Exact Mass341.97
IUPAC NameN-[3-(4-bromophenoxy)-4-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccncc1Oc1ccc(Br)cc1
InChIInChI=1S/C12H11BrN2O3S/c1-19(16,17)15-11-6-7-14-8-12(11)18-10-4-2-9(13)3-5-10/h2-8H,1H3,(H,14,15)
InChIKeyPOERZTJYPCMFQW-UHFFFAOYSA-N
XLogP3.01
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenoxy)-4-pyridinyl]methanesulfonamide?
The IUPAC name of N-[3-(4-bromophenoxy)-4-pyridinyl]methanesulfonamide (CID 11152069) is N-[3-(4-bromophenoxy)-4-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-bromophenoxy)-4-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-bromophenoxy)-4-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1ccncc1Oc1ccc(Br)cc1.
What is the InChIKey of N-[3-(4-bromophenoxy)-4-pyridinyl]methanesulfonamide?
The InChIKey is POERZTJYPCMFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S/c1-19(16,17)15-11-6-7-14-8-12(11)18-10-4-2-9(13)3-5-10/h2-8H,1H3,(H,14,15).
What are the key properties of N-[3-(4-bromophenoxy)-4-pyridinyl]methanesulfonamide?
N-[3-(4-bromophenoxy)-4-pyridinyl]methanesulfonamide has a molecular weight of 343.20 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenoxy)-4-pyridinyl]methanesulfonamide is sourced from PubChem (CID 11152069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).