N-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride

C7H10BrClN2O2S — CID 155858477

IUPACN-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(N)cc1Br.Cl
InChIInChI=1S/C7H9BrN2O2S.ClH/c1-13(11,12)10-7-3-2-5(9)4-6(7)8;/h2-4,10H,9H2,1H3;1H
InChIKeyGLBXLUWAVLQGOV-UHFFFAOYSA-N
MW301.59 g/mol
LogP1.82
Rot. Bonds2

About N-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride

N-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride (PubChem CID 155858477) has the molecular formula C7H10BrClN2O2S and a molecular weight of 301.59 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride
PubChem CID155858477
Molecular FormulaC7H10BrClN2O2S
Molecular Weight301.59 g/mol
Exact Mass299.93
IUPAC NameN-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(N)cc1Br.Cl
InChIInChI=1S/C7H9BrN2O2S.ClH/c1-13(11,12)10-7-3-2-5(9)4-6(7)8;/h2-4,10H,9H2,1H3;1H
InChIKeyGLBXLUWAVLQGOV-UHFFFAOYSA-N
XLogP1.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.59
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride (CID 155858477) is N-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride is CS(=O)(=O)Nc1ccc(N)cc1Br.Cl.
What is the InChIKey of N-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride?
The InChIKey is GLBXLUWAVLQGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2S.ClH/c1-13(11,12)10-7-3-2-5(9)4-6(7)8;/h2-4,10H,9H2,1H3;1H.
What are the key properties of N-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride?
N-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride has a molecular weight of 301.59 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 155858477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).