N-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide

C14H13BrClNO3S — CID 113099755

IUPACN-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C14H13BrClNO3S/c15-11-4-6-13(7-5-11)20-9-8-17-21(18,19)14-3-1-2-12(16)10-14/h1-7,10,17H,8-9H2
InChIKeyUYOUAXCQCDQRKN-UHFFFAOYSA-N
MW390.69 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide

N-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide (PubChem CID 113099755) has the molecular formula C14H13BrClNO3S and a molecular weight of 390.69 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide
PubChem CID113099755
Molecular FormulaC14H13BrClNO3S
Molecular Weight390.69 g/mol
Exact Mass388.95
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C14H13BrClNO3S/c15-11-4-6-13(7-5-11)20-9-8-17-21(18,19)14-3-1-2-12(16)10-14/h1-7,10,17H,8-9H2
InChIKeyUYOUAXCQCDQRKN-UHFFFAOYSA-N
XLogP3.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-bromoethoxy)ethyl]-3-chlorobenzenesulfonamide
CID 114296046
N-[3-[4-(4-bromophenoxy)phenoxy]propyl]-4-chlorobenzenesulfonamide
CID 142055492
3-chloro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101307
3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 5018847
4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113099484
(4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982279
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide
CID 32998656
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099468
N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113099676
3-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246920
N-[2-(4-bromophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113099742

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide (CID 113099755) is N-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide is O=S(=O)(NCCOc1ccc(Br)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide?
The InChIKey is UYOUAXCQCDQRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO3S/c15-11-4-6-13(7-5-11)20-9-8-17-21(18,19)14-3-1-2-12(16)10-14/h1-7,10,17H,8-9H2.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide?
N-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide has a molecular weight of 390.69 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide is sourced from PubChem (CID 113099755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).