5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide

C13H19BrN2O2S — CID 114626150

IUPAC5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)NCC(C)C1CC1
InChIInChI=1S/C13H19BrN2O2S/c1-8-5-11(14)12(15)6-13(8)19(17,18)16-7-9(2)10-3-4-10/h5-6,9-10,16H,3-4,7,15H2,1-2H3
InChIKeyGGWKGGVDQZVSNA-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.66
Rot. Bonds5

About 5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide

5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide (PubChem CID 114626150) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
PubChem CID114626150
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)NCC(C)C1CC1
InChIInChI=1S/C13H19BrN2O2S/c1-8-5-11(14)12(15)6-13(8)19(17,18)16-7-9(2)10-3-4-10/h5-6,9-10,16H,3-4,7,15H2,1-2H3
InChIKeyGGWKGGVDQZVSNA-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.66
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-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 113226818
5-amino-4-bromo-2-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 114625611
5-amino-4-bromo-2-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 114626119
4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide
CID 113474881
2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide
CID 113474885
5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide
CID 114624790
2-bromo-N-(2-cyclopropylpropyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide
CID 114363295
5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide
CID 114624962
2,5-dibromo-N-(2-cyclopropyl-2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 81327832
5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963333
5-amino-4-bromo-N-(1,1-dioxothian-4-yl)-2-methylbenzenesulfonamide
CID 114625209
5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 114625369

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide (CID 114626150) is 5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide is Cc1cc(Br)c(N)cc1S(=O)(=O)NCC(C)C1CC1.
What is the InChIKey of 5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide?
The InChIKey is GGWKGGVDQZVSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-8-5-11(14)12(15)6-13(8)19(17,18)16-7-9(2)10-3-4-10/h5-6,9-10,16H,3-4,7,15H2,1-2H3.
What are the key properties of 5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide?
5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide has a molecular weight of 347.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 114626150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).