5-bromo-2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide

C15H12BrCl2FN2O2S — CID 55766385

IUPAC5-bromo-2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide
SMILESO=S(=O)(c1cc(Br)cnc1Cl)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C15H12BrCl2FN2O2S/c16-9-6-14(15(18)20-7-9)24(22,23)21(10-4-5-10)8-11-12(17)2-1-3-13(11)19/h1-3,6-7,10H,4-5,8H2
InChIKeyUYHJCERJTBVRRU-UHFFFAOYSA-N
MW454.15 g/mol
LogP4.64
Rot. Bonds5

About 5-bromo-2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide

5-bromo-2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide (PubChem CID 55766385) has the molecular formula C15H12BrCl2FN2O2S and a molecular weight of 454.15 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide
PubChem CID55766385
Molecular FormulaC15H12BrCl2FN2O2S
Molecular Weight454.15 g/mol
Exact Mass451.92
IUPAC Name5-bromo-2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide
SMILESO=S(=O)(c1cc(Br)cnc1Cl)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C15H12BrCl2FN2O2S/c16-9-6-14(15(18)20-7-9)24(22,23)21(10-4-5-10)8-11-12(17)2-1-3-13(11)19/h1-3,6-7,10H,4-5,8H2
InChIKeyUYHJCERJTBVRRU-UHFFFAOYSA-N
XLogP4.64
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.15
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,6-difluorobenzenesulfonamide
CID 38254380
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 46633664
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35315095
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-ethylsulfonylbenzenesulfonamide
CID 55872067
5-bromo-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 61061224
5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 61060638
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-(3-fluorophenyl)methanesulfonamide
CID 56514574
5-bromo-2-chloro-N-cyclopentyl-N-methylpyridine-3-sulfonamide
CID 61061220
N-[(4-bromophenyl)methyl]-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylimidazole-4-sulfonamide
CID 46203880
5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyridine-3-sulfonamide
CID 66256091
5-bromo-3-[(2-chloro-6-fluorophenyl)methoxy]pyridin-2-amine
CID 21111493
5,6-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
CID 64608208

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide (CID 55766385) is 5-bromo-2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide is O=S(=O)(c1cc(Br)cnc1Cl)N(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of 5-bromo-2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide?
The InChIKey is UYHJCERJTBVRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2FN2O2S/c16-9-6-14(15(18)20-7-9)24(22,23)21(10-4-5-10)8-11-12(17)2-1-3-13(11)19/h1-3,6-7,10H,4-5,8H2.
What are the key properties of 5-bromo-2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide?
5-bromo-2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide has a molecular weight of 454.15 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide is sourced from PubChem (CID 55766385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).