N-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide

C10H16BrN3O2S — CID 106333784

IUPACN-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNc1ccc(N)cc1Br
InChIInChI=1S/C10H16BrN3O2S/c1-17(15,16)14-6-2-5-13-10-4-3-8(12)7-9(10)11/h3-4,7,13-14H,2,5-6,12H2,1H3
InChIKeyDIGRWIJXGAJWSH-UHFFFAOYSA-N
MW322.23 g/mol
LogP1.38
Rot. Bonds6

About N-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide

N-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide (PubChem CID 106333784) has the molecular formula C10H16BrN3O2S and a molecular weight of 322.23 g/mol. Its IUPAC name is N-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide
PubChem CID106333784
Molecular FormulaC10H16BrN3O2S
Molecular Weight322.23 g/mol
Exact Mass321.01
IUPAC NameN-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNc1ccc(N)cc1Br
InChIInChI=1S/C10H16BrN3O2S/c1-17(15,16)14-6-2-5-13-10-4-3-8(12)7-9(10)11/h3-4,7,13-14H,2,5-6,12H2,1H3
InChIKeyDIGRWIJXGAJWSH-UHFFFAOYSA-N
XLogP1.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide 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

5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333697
methyl 5-amino-2-[3-(methanesulfonamido)propylamino]benzoate
CID 106341818
N-[3-(2-amino-5-bromoanilino)propyl]methanesulfonamide
CID 114174825
N-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride
CID 155858477
3-amino-4-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333712
N-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide
CID 106333831
N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide
CID 106333751
2-bromo-1-N-(5,5,5-trifluoropentyl)benzene-1,4-diamine
CID 115515595
3-bromo-4-[2-(methanesulfonamido)ethylamino]benzoic acid
CID 82801190
4-amino-3-bromo-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333201
1-N-[3-(2,4-diaminoanilino)propyl]benzene-1,2,4-triamine;sulfuric acid
CID 19357418
N-(4-amino-2-bromophenyl)-2-methylsulfonylethanesulfonamide
CID 63245426

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide (CID 106333784) is N-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide is CS(=O)(=O)NCCCNc1ccc(N)cc1Br.
What is the InChIKey of N-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide?
The InChIKey is DIGRWIJXGAJWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2S/c1-17(15,16)14-6-2-5-13-10-4-3-8(12)7-9(10)11/h3-4,7,13-14H,2,5-6,12H2,1H3.
What are the key properties of N-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide?
N-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide has a molecular weight of 322.23 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide is sourced from PubChem (CID 106333784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).