N-(3-bromo-2-chloro-4-fluorophenyl)propane-1-sulfonamide

C9H10BrClFNO2S — CID 122512209

IUPACN-(3-bromo-2-chloro-4-fluorophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(Br)c1Cl
InChIInChI=1S/C9H10BrClFNO2S/c1-2-5-16(14,15)13-7-4-3-6(12)8(10)9(7)11/h3-4,13H,2,5H2,1H3
InChIKeyKXQUFTLHDGWANR-UHFFFAOYSA-N
MW330.61 g/mol
LogP3.39
Rot. Bonds4

About N-(3-bromo-2-chloro-4-fluorophenyl)propane-1-sulfonamide

N-(3-bromo-2-chloro-4-fluorophenyl)propane-1-sulfonamide (PubChem CID 122512209) has the molecular formula C9H10BrClFNO2S and a molecular weight of 330.61 g/mol. Its IUPAC name is N-(3-bromo-2-chloro-4-fluorophenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-chloro-4-fluorophenyl)propane-1-sulfonamide
PubChem CID122512209
Molecular FormulaC9H10BrClFNO2S
Molecular Weight330.61 g/mol
Exact Mass328.93
IUPAC NameN-(3-bromo-2-chloro-4-fluorophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(Br)c1Cl
InChIInChI=1S/C9H10BrClFNO2S/c1-2-5-16(14,15)13-7-4-3-6(12)8(10)9(7)11/h3-4,13H,2,5H2,1H3
InChIKeyKXQUFTLHDGWANR-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-(3-bromo-2-chloro-4-fluorophenyl)propane-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

Related Compounds

CID 17374358
CID 17374358
CID 43654020
CID 43654020
CID 51034457
CID 51034457
CID 60640751
CID 60640751
CID 60643258
CID 60643258
CID 62908055
CID 62908055
CID 62999646
CID 62999646
CID 67053490
CID 67053490
CID 69810002
CID 69810002
CID 69812327
CID 69812327
CID 89419957
CID 89419957
CID 104779628
CID 104779628

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-chloro-4-fluorophenyl)propane-1-sulfonamide?
The IUPAC name of N-(3-bromo-2-chloro-4-fluorophenyl)propane-1-sulfonamide (CID 122512209) is N-(3-bromo-2-chloro-4-fluorophenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-bromo-2-chloro-4-fluorophenyl)propane-1-sulfonamide?
The canonical SMILES for N-(3-bromo-2-chloro-4-fluorophenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(Br)c1Cl.
What is the InChIKey of N-(3-bromo-2-chloro-4-fluorophenyl)propane-1-sulfonamide?
The InChIKey is KXQUFTLHDGWANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClFNO2S/c1-2-5-16(14,15)13-7-4-3-6(12)8(10)9(7)11/h3-4,13H,2,5H2,1H3.
What are the key properties of N-(3-bromo-2-chloro-4-fluorophenyl)propane-1-sulfonamide?
N-(3-bromo-2-chloro-4-fluorophenyl)propane-1-sulfonamide has a molecular weight of 330.61 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-chloro-4-fluorophenyl)propane-1-sulfonamide is sourced from PubChem (CID 122512209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).