N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide

C10H12BrClFNO2S — CID 116816273

IUPACN-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C10H12BrClFNO2S/c11-9-4-3-8(7-10(9)13)14-17(15,16)6-2-1-5-12/h3-4,7,14H,1-2,5-6H2
InChIKeyIUMKQGQTRUDQKL-UHFFFAOYSA-N
MW344.63 g/mol
LogP3.35
Rot. Bonds6

About N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide

N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide (PubChem CID 116816273) has the molecular formula C10H12BrClFNO2S and a molecular weight of 344.63 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide
PubChem CID116816273
Molecular FormulaC10H12BrClFNO2S
Molecular Weight344.63 g/mol
Exact Mass342.94
IUPAC NameN-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C10H12BrClFNO2S/c11-9-4-3-8(7-10(9)13)14-17(15,16)6-2-1-5-12/h3-4,7,14H,1-2,5-6H2
InChIKeyIUMKQGQTRUDQKL-UHFFFAOYSA-N
XLogP3.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.63
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide
CID 116816251
4-chloro-N-(3,4,5-trifluorophenyl)butane-1-sulfonamide
CID 116816137
N-(4-bromo-3-fluorophenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106067072
N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106067092
N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide
CID 65431442
N-(4-bromo-5-fluoro-2-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816604
4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide
CID 116815122
4-chloro-N-(3-methylphenyl)butane-1-sulfonamide
CID 116815142
4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide
CID 103080603
4-(4-chlorobutylsulfonylamino)benzenesulfonamide
CID 3018484
N-(4-bromo-3-fluorophenyl)-1-phenylmethanesulfonamide
CID 65430137
4-chloro-N-[4-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 116815007

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide (CID 116816273) is N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide is O=S(=O)(CCCCCl)Nc1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide?
The InChIKey is IUMKQGQTRUDQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClFNO2S/c11-9-4-3-8(7-10(9)13)14-17(15,16)6-2-1-5-12/h3-4,7,14H,1-2,5-6H2.
What are the key properties of N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide?
N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide has a molecular weight of 344.63 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide is sourced from PubChem (CID 116816273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).