N-(2-bromo-5-chloro-3-pyridinyl)prop-2-ene-1-sulfonamide

C8H8BrClN2O2S — CID 130535524

IUPACN-(2-bromo-5-chloro-3-pyridinyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)Nc1cc(Cl)cnc1Br
InChIInChI=1S/C8H8BrClN2O2S/c1-2-3-15(13,14)12-7-4-6(10)5-11-8(7)9/h2,4-5,12H,1,3H2
InChIKeyZJGCXDNFBZYXTR-UHFFFAOYSA-N
MW311.59 g/mol
LogP2.43
Rot. Bonds4

About N-(2-bromo-5-chloro-3-pyridinyl)prop-2-ene-1-sulfonamide

N-(2-bromo-5-chloro-3-pyridinyl)prop-2-ene-1-sulfonamide (PubChem CID 130535524) has the molecular formula C8H8BrClN2O2S and a molecular weight of 311.59 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-3-pyridinyl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-3-pyridinyl)prop-2-ene-1-sulfonamide
PubChem CID130535524
Molecular FormulaC8H8BrClN2O2S
Molecular Weight311.59 g/mol
Exact Mass309.92
IUPAC NameN-(2-bromo-5-chloro-3-pyridinyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)Nc1cc(Cl)cnc1Br
InChIInChI=1S/C8H8BrClN2O2S/c1-2-3-15(13,14)12-7-4-6(10)5-11-8(7)9/h2,4-5,12H,1,3H2
InChIKeyZJGCXDNFBZYXTR-UHFFFAOYSA-N
XLogP2.43
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.59
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-5-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 112750103
N-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide
CID 130595270
N-(2-bromo-5-chloro-3-pyridinyl)acetamide
CID 130535452
2-bromo-N-(2-bromo-5-chloro-3-pyridinyl)acetamide
CID 130535402
2-bromo-5-chloro-N-(2,2-dimethylpropyl)pyridin-3-amine
CID 130535397
3-bromo-5-chloro-2-ethenylsulfonylpyridine
CID 114836227
4-bromo-3-(prop-2-enylsulfonylamino)benzoic acid
CID 107812686
2-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-5-chloropyridin-3-amine
CID 112749950
3,6-dichloro-2-(prop-2-enylsulfonylamino)benzoic acid
CID 107049593
2,4-difluoro-5-(prop-2-enylsulfonylamino)benzoic acid
CID 79672480
2-chloro-5-(prop-2-enylsulfonylamino)benzoic acid
CID 79673875
2-bromo-5-chloro-N-(3,5-dimethylcyclohexyl)pyridin-3-amine
CID 112749920

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-3-pyridinyl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-(2-bromo-5-chloro-3-pyridinyl)prop-2-ene-1-sulfonamide (CID 130535524) is N-(2-bromo-5-chloro-3-pyridinyl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-chloro-3-pyridinyl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-(2-bromo-5-chloro-3-pyridinyl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)Nc1cc(Cl)cnc1Br.
What is the InChIKey of N-(2-bromo-5-chloro-3-pyridinyl)prop-2-ene-1-sulfonamide?
The InChIKey is ZJGCXDNFBZYXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O2S/c1-2-3-15(13,14)12-7-4-6(10)5-11-8(7)9/h2,4-5,12H,1,3H2.
What are the key properties of N-(2-bromo-5-chloro-3-pyridinyl)prop-2-ene-1-sulfonamide?
N-(2-bromo-5-chloro-3-pyridinyl)prop-2-ene-1-sulfonamide has a molecular weight of 311.59 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-3-pyridinyl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 130535524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).