4-amino-5-bromo-2-chloro-N-ethylbenzenesulfonamide

C8H10BrClN2O2S — CID 70635241

IUPAC4-amino-5-bromo-2-chloro-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(Br)c(N)cc1Cl
InChIInChI=1S/C8H10BrClN2O2S/c1-2-12-15(13,14)8-3-5(9)7(11)4-6(8)10/h3-4,12H,2,11H2,1H3
InChIKeyUNPNDQDPYWQATP-UHFFFAOYSA-N
MW313.60 g/mol
LogP1.98
Rot. Bonds3

About 4-amino-5-bromo-2-chloro-N-ethylbenzenesulfonamide

4-amino-5-bromo-2-chloro-N-ethylbenzenesulfonamide (PubChem CID 70635241) has the molecular formula C8H10BrClN2O2S and a molecular weight of 313.60 g/mol. Its IUPAC name is 4-amino-5-bromo-2-chloro-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-5-bromo-2-chloro-N-ethylbenzenesulfonamide
PubChem CID70635241
Molecular FormulaC8H10BrClN2O2S
Molecular Weight313.60 g/mol
Exact Mass311.93
IUPAC Name4-amino-5-bromo-2-chloro-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(Br)c(N)cc1Cl
InChIInChI=1S/C8H10BrClN2O2S/c1-2-12-15(13,14)8-3-5(9)7(11)4-6(8)10/h3-4,12H,2,11H2,1H3
InChIKeyUNPNDQDPYWQATP-UHFFFAOYSA-N
XLogP1.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.60
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 81414565
5-bromo-2-chloro-N-ethylbenzenesulfonamide
CID 130158590
4-amino-N-butyl-2,5-dichlorobenzenesulfonamide
CID 70634654
3-bromo-2-chloro-N-ethylbenzenesulfonamide
CID 164657063
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
4-amino-3-N-benzyl-6-chlorobenzene-1,3-disulfonamide
CID 2817713
4,5-dibromo-1-N,3-N-diethylbenzene-1,3-disulfonamide
CID 12890966
5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 107213312
5-amino-4-bromo-2-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 114625611
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-bromo-2-chloro-N-ethylbenzenesulfonamide?
The IUPAC name of 4-amino-5-bromo-2-chloro-N-ethylbenzenesulfonamide (CID 70635241) is 4-amino-5-bromo-2-chloro-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-5-bromo-2-chloro-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-amino-5-bromo-2-chloro-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1cc(Br)c(N)cc1Cl.
What is the InChIKey of 4-amino-5-bromo-2-chloro-N-ethylbenzenesulfonamide?
The InChIKey is UNPNDQDPYWQATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN2O2S/c1-2-12-15(13,14)8-3-5(9)7(11)4-6(8)10/h3-4,12H,2,11H2,1H3.
What are the key properties of 4-amino-5-bromo-2-chloro-N-ethylbenzenesulfonamide?
4-amino-5-bromo-2-chloro-N-ethylbenzenesulfonamide has a molecular weight of 313.60 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-bromo-2-chloro-N-ethylbenzenesulfonamide is sourced from PubChem (CID 70635241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).