5-amino-3-bromo-2-chloro-N-ethyl-N-methoxybenzenesulfonamide

C9H12BrClN2O3S — CID 114276942

IUPAC5-amino-3-bromo-2-chloro-N-ethyl-N-methoxybenzenesulfonamide
SMILESCCN(OC)S(=O)(=O)c1cc(N)cc(Br)c1Cl
InChIInChI=1S/C9H12BrClN2O3S/c1-3-13(16-2)17(14,15)8-5-6(12)4-7(10)9(8)11/h4-5H,3,12H2,1-2H3
InChIKeyDYQWXEAXKCNGTB-UHFFFAOYSA-N
MW343.63 g/mol
LogP2.26
Rot. Bonds4

About 5-amino-3-bromo-2-chloro-N-ethyl-N-methoxybenzenesulfonamide

5-amino-3-bromo-2-chloro-N-ethyl-N-methoxybenzenesulfonamide (PubChem CID 114276942) has the molecular formula C9H12BrClN2O3S and a molecular weight of 343.63 g/mol. Its IUPAC name is 5-amino-3-bromo-2-chloro-N-ethyl-N-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-bromo-2-chloro-N-ethyl-N-methoxybenzenesulfonamide
PubChem CID114276942
Molecular FormulaC9H12BrClN2O3S
Molecular Weight343.63 g/mol
Exact Mass341.94
IUPAC Name5-amino-3-bromo-2-chloro-N-ethyl-N-methoxybenzenesulfonamide
SMILESCCN(OC)S(=O)(=O)c1cc(N)cc(Br)c1Cl
InChIInChI=1S/C9H12BrClN2O3S/c1-3-13(16-2)17(14,15)8-5-6(12)4-7(10)9(8)11/h4-5H,3,12H2,1-2H3
InChIKeyDYQWXEAXKCNGTB-UHFFFAOYSA-N
XLogP2.26
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.63
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide
CID 114276936
4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide
CID 43256888
2-[(5-amino-3-bromo-2-chlorophenyl)sulfonylamino]-N-methylacetamide
CID 114274501
4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81053036
4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54880030
3-bromo-4,5-dichloroaniline
CID 91681180
3-bromo-4-[2-(diethylamino)ethoxy]-5-methoxyaniline
CID 3024523
2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide
CID 103101045
5-amino-2-chloro-N-(2-cyanoethyl)-N,3-dimethylbenzenesulfonamide
CID 114268504
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 61105109
5-amino-3-bromo-2-chloro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114274512
5-amino-3-fluoro-N-methoxy-N,2-dimethylbenzenesulfonamide
CID 79896813

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-2-chloro-N-ethyl-N-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-3-bromo-2-chloro-N-ethyl-N-methoxybenzenesulfonamide (CID 114276942) is 5-amino-3-bromo-2-chloro-N-ethyl-N-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-3-bromo-2-chloro-N-ethyl-N-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-3-bromo-2-chloro-N-ethyl-N-methoxybenzenesulfonamide is CCN(OC)S(=O)(=O)c1cc(N)cc(Br)c1Cl.
What is the InChIKey of 5-amino-3-bromo-2-chloro-N-ethyl-N-methoxybenzenesulfonamide?
The InChIKey is DYQWXEAXKCNGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN2O3S/c1-3-13(16-2)17(14,15)8-5-6(12)4-7(10)9(8)11/h4-5H,3,12H2,1-2H3.
What are the key properties of 5-amino-3-bromo-2-chloro-N-ethyl-N-methoxybenzenesulfonamide?
5-amino-3-bromo-2-chloro-N-ethyl-N-methoxybenzenesulfonamide has a molecular weight of 343.63 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-2-chloro-N-ethyl-N-methoxybenzenesulfonamide is sourced from PubChem (CID 114276942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).