N-(2-chloro-5-formyl-3-pyridinyl)-3-(difluoromethoxy)benzenesulfonamide

C13H9ClF2N2O4S — CID 151758566

IUPACN-(2-chloro-5-formyl-3-pyridinyl)-3-(difluoromethoxy)benzenesulfonamide
SMILESO=Cc1cnc(Cl)c(NS(=O)(=O)c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C13H9ClF2N2O4S/c14-12-11(4-8(7-19)6-17-12)18-23(20,21)10-3-1-2-9(5-10)22-13(15)16/h1-7,13,18H
InChIKeyRQBIEFRCHSBIOE-UHFFFAOYSA-N
MW362.74 g/mol
LogP2.95
Rot. Bonds6

About N-(2-chloro-5-formyl-3-pyridinyl)-3-(difluoromethoxy)benzenesulfonamide

N-(2-chloro-5-formyl-3-pyridinyl)-3-(difluoromethoxy)benzenesulfonamide (PubChem CID 151758566) has the molecular formula C13H9ClF2N2O4S and a molecular weight of 362.74 g/mol. Its IUPAC name is N-(2-chloro-5-formyl-3-pyridinyl)-3-(difluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-formyl-3-pyridinyl)-3-(difluoromethoxy)benzenesulfonamide
PubChem CID151758566
Molecular FormulaC13H9ClF2N2O4S
Molecular Weight362.74 g/mol
Exact Mass361.99
IUPAC NameN-(2-chloro-5-formyl-3-pyridinyl)-3-(difluoromethoxy)benzenesulfonamide
SMILESO=Cc1cnc(Cl)c(NS(=O)(=O)c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C13H9ClF2N2O4S/c14-12-11(4-8(7-19)6-17-12)18-23(20,21)10-3-1-2-9(5-10)22-13(15)16/h1-7,13,18H
InChIKeyRQBIEFRCHSBIOE-UHFFFAOYSA-N
XLogP2.95
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(2-amino-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)-2-chloro-3-pyridinyl]-3-(difluoromethoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 87456160
3-(difluoromethoxy)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 146143726
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 102976117
4-chloro-N-(5-formyl-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 90105320
3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide
CID 102976125
N-(2-chloro-4-methoxy-5-piperazin-1-ylphenyl)-3-(difluoromethoxy)benzenesulfonamide
CID 67135896
3-(difluoromethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 91949648
2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde
CID 119008832
[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]oxyboronic acid
CID 142785949
3-(difluoromethoxy)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 75310647
N-[4-(azetidin-3-yl)phenyl]-3-(difluoromethoxy)benzenesulfonamide
CID 68950178
3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enoic acid
CID 67019652

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-formyl-3-pyridinyl)-3-(difluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2-chloro-5-formyl-3-pyridinyl)-3-(difluoromethoxy)benzenesulfonamide (CID 151758566) is N-(2-chloro-5-formyl-3-pyridinyl)-3-(difluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-chloro-5-formyl-3-pyridinyl)-3-(difluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-chloro-5-formyl-3-pyridinyl)-3-(difluoromethoxy)benzenesulfonamide is O=Cc1cnc(Cl)c(NS(=O)(=O)c2cccc(OC(F)F)c2)c1.
What is the InChIKey of N-(2-chloro-5-formyl-3-pyridinyl)-3-(difluoromethoxy)benzenesulfonamide?
The InChIKey is RQBIEFRCHSBIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O4S/c14-12-11(4-8(7-19)6-17-12)18-23(20,21)10-3-1-2-9(5-10)22-13(15)16/h1-7,13,18H.
What are the key properties of N-(2-chloro-5-formyl-3-pyridinyl)-3-(difluoromethoxy)benzenesulfonamide?
N-(2-chloro-5-formyl-3-pyridinyl)-3-(difluoromethoxy)benzenesulfonamide has a molecular weight of 362.74 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-formyl-3-pyridinyl)-3-(difluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 151758566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).