5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide

C13H17BrN2O2S — CID 65206493

IUPAC5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C13H17BrN2O2S/c14-11-6-5-10(15)7-12(11)19(17,18)16-13(8-1-2-8)9-3-4-9/h5-9,13,16H,1-4,15H2
InChIKeyCPTIFSAVSWSFAW-UHFFFAOYSA-N
MW345.26 g/mol
LogP2.50
Rot. Bonds5

About 5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide

5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide (PubChem CID 65206493) has the molecular formula C13H17BrN2O2S and a molecular weight of 345.26 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide
PubChem CID65206493
Molecular FormulaC13H17BrN2O2S
Molecular Weight345.26 g/mol
Exact Mass344.02
IUPAC Name5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C13H17BrN2O2S/c14-11-6-5-10(15)7-12(11)19(17,18)16-13(8-1-2-8)9-3-4-9/h5-9,13,16H,1-4,15H2
InChIKeyCPTIFSAVSWSFAW-UHFFFAOYSA-N
XLogP2.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 52.50
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-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
CID 65206649
4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61479282
4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
CID 61479238
5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide
CID 65207075
methyl 2-[(5-amino-2-bromophenyl)sulfonylamino]propanoate
CID 65206495
5-amino-2-bromo-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 65206923
5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247723
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802
5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 65206608
5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide
CID 65206688
2-amino-5-chloro-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61479392
5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181950

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide (CID 65206493) is 5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide is Nc1ccc(Br)c(S(=O)(=O)NC(C2CC2)C2CC2)c1.
What is the InChIKey of 5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide?
The InChIKey is CPTIFSAVSWSFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2S/c14-11-6-5-10(15)7-12(11)19(17,18)16-13(8-1-2-8)9-3-4-9/h5-9,13,16H,1-4,15H2.
What are the key properties of 5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide?
5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide has a molecular weight of 345.26 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide is sourced from PubChem (CID 65206493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).