2-bromo-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide

C18H14BrClN2O3S — CID 52781998

IUPAC2-bromo-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1Br
InChIInChI=1S/C18H14BrClN2O3S/c19-15-6-1-2-7-18(15)26(23,24)22-13-8-9-17(16(20)11-13)25-12-14-5-3-4-10-21-14/h1-11,22H,12H2
InChIKeyFBYHZLNZGFUUMM-UHFFFAOYSA-N
MW453.75 g/mol
LogP4.88
Rot. Bonds6

About 2-bromo-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide

2-bromo-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide (PubChem CID 52781998) has the molecular formula C18H14BrClN2O3S and a molecular weight of 453.75 g/mol. Its IUPAC name is 2-bromo-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
PubChem CID52781998
Molecular FormulaC18H14BrClN2O3S
Molecular Weight453.75 g/mol
Exact Mass451.96
IUPAC Name2-bromo-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1Br
InChIInChI=1S/C18H14BrClN2O3S/c19-15-6-1-2-7-18(15)26(23,24)22-13-8-9-17(16(20)11-13)25-12-14-5-3-4-10-21-14/h1-11,22H,12H2
InChIKeyFBYHZLNZGFUUMM-UHFFFAOYSA-N
XLogP4.88
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.75
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide
CID 52782034
2,3-dichloro-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 43069625
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]ethenesulfonamide
CID 42602379
2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide
CID 47310409
N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62164737
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1H-pyrazol-4-amine
CID 141149106
1-[2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549686
2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide
CID 61125908
2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 55645155
2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 43069632
1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea
CID 60599188

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide (CID 52781998) is 2-bromo-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide?
The InChIKey is FBYHZLNZGFUUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN2O3S/c19-15-6-1-2-7-18(15)26(23,24)22-13-8-9-17(16(20)11-13)25-12-14-5-3-4-10-21-14/h1-11,22H,12H2.
What are the key properties of 2-bromo-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide?
2-bromo-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide has a molecular weight of 453.75 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 52781998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).