N-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide

C11H11BrN2O2S2 — CID 64894470

IUPACN-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide
SMILESNCc1ccccc1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H11BrN2O2S2/c12-9-5-6-17-11(9)18(15,16)14-10-4-2-1-3-8(10)7-13/h1-6,14H,7,13H2
InChIKeyLHQDWNBXZZZEMD-UHFFFAOYSA-N
MW347.26 g/mol
LogP2.77
Rot. Bonds4

About N-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide

N-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide (PubChem CID 64894470) has the molecular formula C11H11BrN2O2S2 and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide
PubChem CID64894470
Molecular FormulaC11H11BrN2O2S2
Molecular Weight347.26 g/mol
Exact Mass345.94
IUPAC NameN-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide
SMILESNCc1ccccc1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H11BrN2O2S2/c12-9-5-6-17-11(9)18(15,16)14-10-4-2-1-3-8(10)7-13/h1-6,14H,7,13H2
InChIKeyLHQDWNBXZZZEMD-UHFFFAOYSA-N
XLogP2.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
CID 62536493
2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814262
3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81495157
3-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-2-sulfonamide
CID 107792932
3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide
CID 64793855
N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide
CID 106606716
2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide
CID 61062884
N-[2-(aminomethyl)phenyl]-2-bromo-4-fluorobenzenesulfonamide
CID 64895248
3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 61456145
3-bromo-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide
CID 61458187
N-(2-amino-4-fluorophenyl)-3-bromothiophene-2-sulfonamide
CID 54947239
N-(4-amino-2-methylphenyl)-3-bromothiophene-2-sulfonamide
CID 54947088

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide (CID 64894470) is N-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide is NCc1ccccc1NS(=O)(=O)c1sccc1Br.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide?
The InChIKey is LHQDWNBXZZZEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S2/c12-9-5-6-17-11(9)18(15,16)14-10-4-2-1-3-8(10)7-13/h1-6,14H,7,13H2.
What are the key properties of N-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide?
N-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide has a molecular weight of 347.26 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide is sourced from PubChem (CID 64894470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).