4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide

C12H19BrN2O3S — CID 61111455

IUPAC4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C12H19BrN2O3S/c1-2-3-6-15(7-8-16)19(17,18)12-5-4-10(14)9-11(12)13/h4-5,9,16H,2-3,6-8,14H2,1H3
InChIKeyFCECWXYARPDDRI-UHFFFAOYSA-N
MW351.27 g/mol
LogP1.81
Rot. Bonds7

About 4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide

4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 61111455) has the molecular formula C12H19BrN2O3S and a molecular weight of 351.27 g/mol. Its IUPAC name is 4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID61111455
Molecular FormulaC12H19BrN2O3S
Molecular Weight351.27 g/mol
Exact Mass350.03
IUPAC Name4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C12H19BrN2O3S/c1-2-3-6-15(7-8-16)19(17,18)12-5-4-10(14)9-11(12)13/h4-5,9,16H,2-3,6-8,14H2,1H3
InChIKeyFCECWXYARPDDRI-UHFFFAOYSA-N
XLogP1.81
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111272
4-amino-2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 102931046
4-amino-2-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107478030
4-amino-N,N-dibutyl-2-methylbenzenesulfonamide
CID 43258806
2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111458
4-amino-2-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 43577739
2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 61217446
5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140112
5-amino-N-butyl-N-(2-hydroxyethyl)-1H-indole-3-sulfonamide
CID 64850898
4-amino-2-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61105488
4-amino-2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 55139512
2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 54878608

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide (CID 61111455) is 4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide is CCCCN(CCO)S(=O)(=O)c1ccc(N)cc1Br.
What is the InChIKey of 4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is FCECWXYARPDDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O3S/c1-2-3-6-15(7-8-16)19(17,18)12-5-4-10(14)9-11(12)13/h4-5,9,16H,2-3,6-8,14H2,1H3.
What are the key properties of 4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide?
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 351.27 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 61111455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).