N-(4-bromo-3-chloro-5-fluorophenyl)-1-chloromethanesulfonamide

C7H5BrCl2FNO2S — CID 130543020

IUPACN-(4-bromo-3-chloro-5-fluorophenyl)-1-chloromethanesulfonamide
SMILESO=S(=O)(CCl)Nc1cc(F)c(Br)c(Cl)c1
InChIInChI=1S/C7H5BrCl2FNO2S/c8-7-5(10)1-4(2-6(7)11)12-15(13,14)3-9/h1-2,12H,3H2
InChIKeySGUSJEFYBKKAEC-UHFFFAOYSA-N
MW337.00 g/mol
LogP3.18
Rot. Bonds3

About N-(4-bromo-3-chloro-5-fluorophenyl)-1-chloromethanesulfonamide

N-(4-bromo-3-chloro-5-fluorophenyl)-1-chloromethanesulfonamide (PubChem CID 130543020) has the molecular formula C7H5BrCl2FNO2S and a molecular weight of 337.00 g/mol. Its IUPAC name is N-(4-bromo-3-chloro-5-fluorophenyl)-1-chloromethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-chloro-5-fluorophenyl)-1-chloromethanesulfonamide
PubChem CID130543020
Molecular FormulaC7H5BrCl2FNO2S
Molecular Weight337.00 g/mol
Exact Mass334.86
IUPAC NameN-(4-bromo-3-chloro-5-fluorophenyl)-1-chloromethanesulfonamide
SMILESO=S(=O)(CCl)Nc1cc(F)c(Br)c(Cl)c1
InChIInChI=1S/C7H5BrCl2FNO2S/c8-7-5(10)1-4(2-6(7)11)12-15(13,14)3-9/h1-2,12H,3H2
InChIKeySGUSJEFYBKKAEC-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.00
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-bromo-3-chloro-5-fluorophenyl)-1-chloromethanesulfonamide 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

1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide
CID 64782624
1-chloro-N-(3-chloro-4-methylphenyl)methanesulfonamide
CID 63665096
1-chloro-N-(3-chloro-4-cyanophenyl)methanesulfonamide
CID 63664296
1-chloro-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide
CID 55244680
N-(4-bromo-3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 169370356
1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide
CID 163924454
N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide
CID 116816273
2-(4-bromo-3-chloro-5-fluoroanilino)propanenitrile
CID 130542946
4-chloro-N-(3,4,5-trifluorophenyl)butane-1-sulfonamide
CID 116816137
1-bromo-N-(3,5-dichloro-4-hydroxyphenyl)methanesulfonamide
CID 107681652
4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline
CID 168580141
N-(4-bromo-3-chloro-5-fluorophenyl)methanimine
CID 130179393

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chloro-5-fluorophenyl)-1-chloromethanesulfonamide?
The IUPAC name of N-(4-bromo-3-chloro-5-fluorophenyl)-1-chloromethanesulfonamide (CID 130543020) is N-(4-bromo-3-chloro-5-fluorophenyl)-1-chloromethanesulfonamide.
What is the SMILES notation for N-(4-bromo-3-chloro-5-fluorophenyl)-1-chloromethanesulfonamide?
The canonical SMILES for N-(4-bromo-3-chloro-5-fluorophenyl)-1-chloromethanesulfonamide is O=S(=O)(CCl)Nc1cc(F)c(Br)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chloro-5-fluorophenyl)-1-chloromethanesulfonamide?
The InChIKey is SGUSJEFYBKKAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2FNO2S/c8-7-5(10)1-4(2-6(7)11)12-15(13,14)3-9/h1-2,12H,3H2.
What are the key properties of N-(4-bromo-3-chloro-5-fluorophenyl)-1-chloromethanesulfonamide?
N-(4-bromo-3-chloro-5-fluorophenyl)-1-chloromethanesulfonamide has a molecular weight of 337.00 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chloro-5-fluorophenyl)-1-chloromethanesulfonamide is sourced from PubChem (CID 130543020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).