4-(3-amino-4-bromophenyl)sulfonylpiperazine-1-sulfonamide

C10H15BrN4O4S2 — CID 115329028

IUPAC4-(3-amino-4-bromophenyl)sulfonylpiperazine-1-sulfonamide
SMILESNc1cc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)ccc1Br
InChIInChI=1S/C10H15BrN4O4S2/c11-9-2-1-8(7-10(9)12)20(16,17)14-3-5-15(6-4-14)21(13,18)19/h1-2,7H,3-6,12H2,(H2,13,18,19)
InChIKeySQFXGAMMBQPEKN-UHFFFAOYSA-N
MW399.29 g/mol
LogP-0.46
Rot. Bonds3

About 4-(3-amino-4-bromophenyl)sulfonylpiperazine-1-sulfonamide

4-(3-amino-4-bromophenyl)sulfonylpiperazine-1-sulfonamide (PubChem CID 115329028) has the molecular formula C10H15BrN4O4S2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 4-(3-amino-4-bromophenyl)sulfonylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-amino-4-bromophenyl)sulfonylpiperazine-1-sulfonamide
PubChem CID115329028
Molecular FormulaC10H15BrN4O4S2
Molecular Weight399.29 g/mol
Exact Mass397.97
IUPAC Name4-(3-amino-4-bromophenyl)sulfonylpiperazine-1-sulfonamide
SMILESNc1cc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)ccc1Br
InChIInChI=1S/C10H15BrN4O4S2/c11-9-2-1-8(7-10(9)12)20(16,17)14-3-5-15(6-4-14)21(13,18)19/h1-2,7H,3-6,12H2,(H2,13,18,19)
InChIKeySQFXGAMMBQPEKN-UHFFFAOYSA-N
XLogP-0.46
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3-amino-4-bromophenyl)sulfonylpiperazine-1-sulfonamide 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-bromo-5-morpholin-4-ylsulfonylaniline
CID 115328547
2-bromo-5-(4-methoxypiperidin-1-yl)sulfonylaniline
CID 115328758
2-(3-amino-4-bromophenyl)sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856631
2-bromo-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542754
1-(3-amino-4-bromophenyl)sulfonyl-3-methylazetidin-3-ol
CID 107212691
(3S)-1-(3-amino-4-bromophenyl)sulfonylpiperidin-3-ol
CID 107213789
2-bromo-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylaniline
CID 115329305
2-bromo-4-morpholin-4-ylsulfonylaniline
CID 54850283
2-chloro-5-pyrrolidin-1-ylsulfonylaniline
CID 2963514
2-bromo-5-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 115328626
1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine
CID 4885054
1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 103697257

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-bromophenyl)sulfonylpiperazine-1-sulfonamide?
The IUPAC name of 4-(3-amino-4-bromophenyl)sulfonylpiperazine-1-sulfonamide (CID 115329028) is 4-(3-amino-4-bromophenyl)sulfonylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-amino-4-bromophenyl)sulfonylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(3-amino-4-bromophenyl)sulfonylpiperazine-1-sulfonamide is Nc1cc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)ccc1Br.
What is the InChIKey of 4-(3-amino-4-bromophenyl)sulfonylpiperazine-1-sulfonamide?
The InChIKey is SQFXGAMMBQPEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O4S2/c11-9-2-1-8(7-10(9)12)20(16,17)14-3-5-15(6-4-14)21(13,18)19/h1-2,7H,3-6,12H2,(H2,13,18,19).
What are the key properties of 4-(3-amino-4-bromophenyl)sulfonylpiperazine-1-sulfonamide?
4-(3-amino-4-bromophenyl)sulfonylpiperazine-1-sulfonamide has a molecular weight of 399.29 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-bromophenyl)sulfonylpiperazine-1-sulfonamide is sourced from PubChem (CID 115329028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).