N-(2-amino-4-bromophenyl)propane-1-sulfonamide

C9H13BrN2O2S — CID 29008435

IUPACN-(2-amino-4-bromophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Br)cc1N
InChIInChI=1S/C9H13BrN2O2S/c1-2-5-15(13,14)12-9-4-3-7(10)6-8(9)11/h3-4,6,12H,2,5,11H2,1H3
InChIKeyPWQRWVRFTDRZOF-UHFFFAOYSA-N
MW293.19 g/mol
LogP2.18
Rot. Bonds4

About N-(2-amino-4-bromophenyl)propane-1-sulfonamide

N-(2-amino-4-bromophenyl)propane-1-sulfonamide (PubChem CID 29008435) has the molecular formula C9H13BrN2O2S and a molecular weight of 293.19 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)propane-1-sulfonamide
PubChem CID29008435
Molecular FormulaC9H13BrN2O2S
Molecular Weight293.19 g/mol
Exact Mass291.99
IUPAC NameN-(2-amino-4-bromophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Br)cc1N
InChIInChI=1S/C9H13BrN2O2S/c1-2-5-15(13,14)12-9-4-3-7(10)6-8(9)11/h3-4,6,12H,2,5,11H2,1H3
InChIKeyPWQRWVRFTDRZOF-UHFFFAOYSA-N
XLogP2.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 52.18
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

N-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide
CID 60651582
N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
CID 6468897
N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide
CID 106003339
N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide
CID 29008391
4-bromo-1-N-ethylbenzene-1,2-diamine
CID 11816737
N-(4-bromo-2-ethylphenyl)-2-(propylamino)ethanesulfonamide
CID 106073420
N-(2-amino-4-cyanophenyl)butane-1-sulfonamide
CID 78965267
N-[2-amino-4-(trifluoromethyl)phenyl]butane-1-sulfonamide
CID 16774838
3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide
CID 60910330
N-(2-amino-4-fluorophenyl)-2-methylsulfonylethanesulfonamide
CID 63245465
4-bromo-2-(butylsulfonylamino)benzenecarbothioamide
CID 107798991
N-(2-aminophenyl)butane-1-sulfonamide
CID 16771337

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)propane-1-sulfonamide?
The IUPAC name of N-(2-amino-4-bromophenyl)propane-1-sulfonamide (CID 29008435) is N-(2-amino-4-bromophenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Br)cc1N.
What is the InChIKey of N-(2-amino-4-bromophenyl)propane-1-sulfonamide?
The InChIKey is PWQRWVRFTDRZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S/c1-2-5-15(13,14)12-9-4-3-7(10)6-8(9)11/h3-4,6,12H,2,5,11H2,1H3.
What are the key properties of N-(2-amino-4-bromophenyl)propane-1-sulfonamide?
N-(2-amino-4-bromophenyl)propane-1-sulfonamide has a molecular weight of 293.19 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromophenyl)propane-1-sulfonamide is sourced from PubChem (CID 29008435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).