2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide

C10H15BrN2O4S — CID 61138879

IUPAC2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)N(CCO)CCO
InChIInChI=1S/C10H15BrN2O4S/c11-8-1-2-10(9(12)7-8)18(16,17)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6,12H2
InChIKeyNMJBNMHMUKQUAR-UHFFFAOYSA-N
MW339.21 g/mol
LogP0.01
Rot. Bonds6

About 2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide

2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide (PubChem CID 61138879) has the molecular formula C10H15BrN2O4S and a molecular weight of 339.21 g/mol. Its IUPAC name is 2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide
PubChem CID61138879
Molecular FormulaC10H15BrN2O4S
Molecular Weight339.21 g/mol
Exact Mass337.99
IUPAC Name2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)N(CCO)CCO
InChIInChI=1S/C10H15BrN2O4S/c11-8-1-2-10(9(12)7-8)18(16,17)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6,12H2
InChIKeyNMJBNMHMUKQUAR-UHFFFAOYSA-N
XLogP0.01
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-bromobenzene-1-sulfonamide
CID 12452495
4-bromo-N-butyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 44602068
2-amino-4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 55006890
2-amino-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60891919
2-amino-4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61105871
2-amino-4-bromo-N-butyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106054
2-amino-4-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61110507
2-amino-4-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61139067
2-amino-5-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61139829
4-amino-2-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61140660
2-amino-4-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61140665
2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61140841

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide (CID 61138879) is 2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide is Nc1cc(Br)ccc1S(=O)(=O)N(CCO)CCO.
What is the InChIKey of 2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is NMJBNMHMUKQUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O4S/c11-8-1-2-10(9(12)7-8)18(16,17)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6,12H2.
What are the key properties of 2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 339.21 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 61138879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).