[(2-bromophenyl)sulfonylamino] 3-(propan-2-ylamino)propyl carbonate;hydrochloride

C13H20BrClN2O5S — CID 74223296

IUPAC[(2-bromophenyl)sulfonylamino] 3-(propan-2-ylamino)propyl carbonate;hydrochloride
SMILESCC(C)NCCCOC(=O)ONS(=O)(=O)c1ccccc1Br.Cl
InChIInChI=1S/C13H19BrN2O5S.ClH/c1-10(2)15-8-5-9-20-13(17)21-16-22(18,19)12-7-4-3-6-11(12)14;/h3-4,6-7,10,15-16H,5,8-9H2,1-2H3;1H
InChIKeyPGZJHMDKPPNYGL-UHFFFAOYSA-N
MW431.74 g/mol
LogP2.61
Rot. Bonds8

About [(2-bromophenyl)sulfonylamino] 3-(propan-2-ylamino)propyl carbonate;hydrochloride

[(2-bromophenyl)sulfonylamino] 3-(propan-2-ylamino)propyl carbonate;hydrochloride (PubChem CID 74223296) has the molecular formula C13H20BrClN2O5S and a molecular weight of 431.74 g/mol. Its IUPAC name is [(2-bromophenyl)sulfonylamino] 3-(propan-2-ylamino)propyl carbonate;hydrochloride.

Molecular Properties

Compound Name[(2-bromophenyl)sulfonylamino] 3-(propan-2-ylamino)propyl carbonate;hydrochloride
PubChem CID74223296
Molecular FormulaC13H20BrClN2O5S
Molecular Weight431.74 g/mol
Exact Mass430.00
IUPAC Name[(2-bromophenyl)sulfonylamino] 3-(propan-2-ylamino)propyl carbonate;hydrochloride
SMILESCC(C)NCCCOC(=O)ONS(=O)(=O)c1ccccc1Br.Cl
InChIInChI=1S/C13H19BrN2O5S.ClH/c1-10(2)15-8-5-9-20-13(17)21-16-22(18,19)12-7-4-3-6-11(12)14;/h3-4,6-7,10,15-16H,5,8-9H2,1-2H3;1H
InChIKeyPGZJHMDKPPNYGL-UHFFFAOYSA-N
XLogP2.61
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.74
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2-bromophenyl)sulfonylamino] 3-(propan-2-ylamino)propyl carbonate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2-Bromophenyl)sulfonylamino] 2-(propan-2-ylamino)ethyl carbonate
CID 74223240
[(2-Bromophenyl)sulfonylamino] 3-(propan-2-ylamino)propyl carbonate
CID 74223297
2-Bromobenzenesulfonamide;2-(methylamino)ethyl hydrogen carbonate;hydrochloride
CID 90117426
[2-[(2-Bromophenyl)sulfonylamino]-2-(methylamino)ethyl] hydrogen carbonate;hydrochloride
CID 90117433
[2-[(2-Bromophenyl)sulfonylamino]-2-(methylamino)ethyl] hydrogen carbonate
CID 90117434
[(2-Bromophenyl)sulfonylamino] 2-(tert-butylamino)ethyl carbonate
CID 90132710
2-Bromobenzenesulfonamide;3-(propan-2-ylamino)propyl hydrogen carbonate;hydrochloride
CID 118435635
2-Bromobenzenesulfonamide;2-(tert-butylamino)ethyl hydrogen carbonate;hydrochloride
CID 118435639
[2-[(2-Bromophenyl)sulfonylamino]-2-(tert-butylamino)ethyl] hydrogen carbonate;hydrochloride
CID 118435644
[2-[(2-Bromophenyl)sulfonylamino]-2-(tert-butylamino)ethyl] hydrogen carbonate
CID 118435645
2-Bromobenzenesulfonamide;2-(tert-butylamino)ethyl hydrogen carbonate
CID 118435646
Bis[3-[(2-bromophenyl)sulfonylamino]-3-(propan-2-ylamino)propyl] carbonate;hydrochloride
CID 118435648

Frequently Asked Questions

What is the IUPAC name of [(2-bromophenyl)sulfonylamino] 3-(propan-2-ylamino)propyl carbonate;hydrochloride?
The IUPAC name of [(2-bromophenyl)sulfonylamino] 3-(propan-2-ylamino)propyl carbonate;hydrochloride (CID 74223296) is [(2-bromophenyl)sulfonylamino] 3-(propan-2-ylamino)propyl carbonate;hydrochloride.
What is the SMILES notation for [(2-bromophenyl)sulfonylamino] 3-(propan-2-ylamino)propyl carbonate;hydrochloride?
The canonical SMILES for [(2-bromophenyl)sulfonylamino] 3-(propan-2-ylamino)propyl carbonate;hydrochloride is CC(C)NCCCOC(=O)ONS(=O)(=O)c1ccccc1Br.Cl.
What is the InChIKey of [(2-bromophenyl)sulfonylamino] 3-(propan-2-ylamino)propyl carbonate;hydrochloride?
The InChIKey is PGZJHMDKPPNYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O5S.ClH/c1-10(2)15-8-5-9-20-13(17)21-16-22(18,19)12-7-4-3-6-11(12)14;/h3-4,6-7,10,15-16H,5,8-9H2,1-2H3;1H.
What are the key properties of [(2-bromophenyl)sulfonylamino] 3-(propan-2-ylamino)propyl carbonate;hydrochloride?
[(2-bromophenyl)sulfonylamino] 3-(propan-2-ylamino)propyl carbonate;hydrochloride has a molecular weight of 431.74 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromophenyl)sulfonylamino] 3-(propan-2-ylamino)propyl carbonate;hydrochloride is sourced from PubChem (CID 74223296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).