N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide

C18H19F2IN2O2S — CID 143399893

IUPACN-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide
SMILESCc1cc(I)ccc1Nc1c(NS(=O)(=O)C2CCCC2)ccc(F)c1F
InChIInChI=1S/C18H19F2IN2O2S/c1-11-10-12(21)6-8-15(11)22-18-16(9-7-14(19)17(18)20)23-26(24,25)13-4-2-3-5-13/h6-10,13,22-23H,2-5H2,1H3
InChIKeyPMPDGFFBQDMPSQ-UHFFFAOYSA-N
MW492.33 g/mol
LogP5.31
Rot. Bonds5

About N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide

N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide (PubChem CID 143399893) has the molecular formula C18H19F2IN2O2S and a molecular weight of 492.33 g/mol. Its IUPAC name is N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide
PubChem CID143399893
Molecular FormulaC18H19F2IN2O2S
Molecular Weight492.33 g/mol
Exact Mass492.02
IUPAC NameN-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide
SMILESCc1cc(I)ccc1Nc1c(NS(=O)(=O)C2CCCC2)ccc(F)c1F
InChIInChI=1S/C18H19F2IN2O2S/c1-11-10-12(21)6-8-15(11)22-18-16(9-7-14(19)17(18)20)23-26(24,25)13-4-2-3-5-13/h6-10,13,22-23H,2-5H2,1H3
InChIKeyPMPDGFFBQDMPSQ-UHFFFAOYSA-N
XLogP5.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.33
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide
CID 143758056
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxy-5-methylphenyl]cyclobutanesulfonamide
CID 163679019
N-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide
CID 59386353
2-(2,4-dichlorophenyl)-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide
CID 70828478
N-[2-[4-(4-aminophenyl)-2-fluoroanilino]-3,4-difluorophenyl]cyclopropanesulfonamide
CID 89144911
1-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]ethanone
CID 23526715
3,4,6-trifluoro-2-(4-iodo-2-methylanilino)benzoic acid
CID 22226015
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide
CID 53492153
N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide
CID 59386340
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-2,5-dimethylfuran-3-sulfonamide
CID 53492157
N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]piperidine-4-sulfonamide
CID 58133055
3,4-difluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3838245

Frequently Asked Questions

What is the IUPAC name of N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide?
The IUPAC name of N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide (CID 143399893) is N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide?
The canonical SMILES for N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide is Cc1cc(I)ccc1Nc1c(NS(=O)(=O)C2CCCC2)ccc(F)c1F.
What is the InChIKey of N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide?
The InChIKey is PMPDGFFBQDMPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2IN2O2S/c1-11-10-12(21)6-8-15(11)22-18-16(9-7-14(19)17(18)20)23-26(24,25)13-4-2-3-5-13/h6-10,13,22-23H,2-5H2,1H3.
What are the key properties of N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide?
N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide has a molecular weight of 492.33 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide is sourced from PubChem (CID 143399893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).