N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide

C13H12BrClN2O2S — CID 62909121

IUPACN-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C13H12BrClN2O2S/c14-10-4-5-12(15)13(9-10)17-20(18,19)8-6-11-3-1-2-7-16-11/h1-5,7,9,17H,6,8H2
InChIKeyVFDNEQSTZJTJGR-UHFFFAOYSA-N
MW375.68 g/mol
LogP3.48
Rot. Bonds5

About N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide

N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 62909121) has the molecular formula C13H12BrClN2O2S and a molecular weight of 375.68 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide
PubChem CID62909121
Molecular FormulaC13H12BrClN2O2S
Molecular Weight375.68 g/mol
Exact Mass373.95
IUPAC NameN-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C13H12BrClN2O2S/c14-10-4-5-12(15)13(9-10)17-20(18,19)8-6-11-3-1-2-7-16-11/h1-5,7,9,17H,6,8H2
InChIKeyVFDNEQSTZJTJGR-UHFFFAOYSA-N
XLogP3.48
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.68
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864371
N-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide
CID 64786737
N-(5-chloro-2-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide
CID 25040971
5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline
CID 62913558
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
CID 3667629
N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864543
N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
CID 103098114
N-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 62908956
N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796
3-amino-N-(5-bromo-2-chlorophenyl)pyridine-2-sulfonamide
CID 103305837
2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide
CID 62945798
N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 25042955

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide (CID 62909121) is N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide is O=S(=O)(CCc1ccccn1)Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is VFDNEQSTZJTJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2S/c14-10-4-5-12(15)13(9-10)17-20(18,19)8-6-11-3-1-2-7-16-11/h1-5,7,9,17H,6,8H2.
What are the key properties of N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide?
N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 375.68 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 62909121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).