N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-(cyclopentylamino)piperidine-1-sulfonamide

C22H26ClF2IN4O2S — CID 11169445

IUPACN-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-(cyclopentylamino)piperidine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1Nc1ccc(I)cc1Cl)N1CCC(NC2CCCC2)CC1
InChIInChI=1S/C22H26ClF2IN4O2S/c23-17-13-14(26)5-7-19(17)28-22-20(8-6-18(24)21(22)25)29-33(31,32)30-11-9-16(10-12-30)27-15-3-1-2-4-15/h5-8,13,15-16,27-29H,1-4,9-12H2
InChIKeySZDAJPDXAFPAMW-UHFFFAOYSA-N
MW610.90 g/mol
LogP5.62
Rot. Bonds7

About N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-(cyclopentylamino)piperidine-1-sulfonamide

N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-(cyclopentylamino)piperidine-1-sulfonamide (PubChem CID 11169445) has the molecular formula C22H26ClF2IN4O2S and a molecular weight of 610.90 g/mol. Its IUPAC name is N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-(cyclopentylamino)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-(cyclopentylamino)piperidine-1-sulfonamide
PubChem CID11169445
Molecular FormulaC22H26ClF2IN4O2S
Molecular Weight610.90 g/mol
Exact Mass610.05
IUPAC NameN-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-(cyclopentylamino)piperidine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1Nc1ccc(I)cc1Cl)N1CCC(NC2CCCC2)CC1
InChIInChI=1S/C22H26ClF2IN4O2S/c23-17-13-14(26)5-7-19(17)28-22-20(8-6-18(24)21(22)25)29-33(31,32)30-11-9-16(10-12-30)27-15-3-1-2-4-15/h5-8,13,15-16,27-29H,1-4,9-12H2
InChIKeySZDAJPDXAFPAMW-UHFFFAOYSA-N
XLogP5.62
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.90
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-(cyclopentylamino)piperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-(cyclopentylamino)piperidine-1-sulfonamide?
The IUPAC name of N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-(cyclopentylamino)piperidine-1-sulfonamide (CID 11169445) is N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-(cyclopentylamino)piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-(cyclopentylamino)piperidine-1-sulfonamide?
The canonical SMILES for N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-(cyclopentylamino)piperidine-1-sulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1Nc1ccc(I)cc1Cl)N1CCC(NC2CCCC2)CC1.
What is the InChIKey of N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-(cyclopentylamino)piperidine-1-sulfonamide?
The InChIKey is SZDAJPDXAFPAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClF2IN4O2S/c23-17-13-14(26)5-7-19(17)28-22-20(8-6-18(24)21(22)25)29-33(31,32)30-11-9-16(10-12-30)27-15-3-1-2-4-15/h5-8,13,15-16,27-29H,1-4,9-12H2.
What are the key properties of N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-(cyclopentylamino)piperidine-1-sulfonamide?
N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-(cyclopentylamino)piperidine-1-sulfonamide has a molecular weight of 610.90 g/mol, XLogP of 5.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-(cyclopentylamino)piperidine-1-sulfonamide is sourced from PubChem (CID 11169445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).