3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide

C14H15BrN2O3S — CID 43341127

IUPAC3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Oc2ccc(Br)cc2)c(N)c1
InChIInChI=1S/C14H15BrN2O3S/c1-17(2)21(18,19)12-7-8-14(13(16)9-12)20-11-5-3-10(15)4-6-11/h3-9H,16H2,1-2H3
InChIKeyARVXFPWPMNVGFU-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.07
Rot. Bonds4

About 3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide

3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide (PubChem CID 43341127) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide
PubChem CID43341127
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Oc2ccc(Br)cc2)c(N)c1
InChIInChI=1S/C14H15BrN2O3S/c1-17(2)21(18,19)12-7-8-14(13(16)9-12)20-11-5-3-10(15)4-6-11/h3-9H,16H2,1-2H3
InChIKeyARVXFPWPMNVGFU-UHFFFAOYSA-N
XLogP3.07
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide
CID 43162717
3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 43341134
4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide
CID 12943036
3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43162703
3-amino-4-(4-methylphenoxy)benzenesulfonic acid
CID 141233792
3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide
CID 3578870
5-bromo-2-(4-methoxyphenoxy)aniline
CID 26190467
3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide
CID 1643
5-methylsulfonyl-2-(4-propan-2-ylphenoxy)aniline
CID 43448136
2-(4-ethylphenoxy)-5-methylsulfonylaniline
CID 43448142
3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide
CID 43341136
4-(4-chlorophenoxy)-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide
CID 143925868

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide (CID 43341127) is 3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(Oc2ccc(Br)cc2)c(N)c1.
What is the InChIKey of 3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide?
The InChIKey is ARVXFPWPMNVGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-17(2)21(18,19)12-7-8-14(13(16)9-12)20-11-5-3-10(15)4-6-11/h3-9H,16H2,1-2H3.
What are the key properties of 3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide?
3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43341127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).