N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide

C13H13BrN2O2S — CID 63254732

IUPACN-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide
SMILESNCc1cccc(NS(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C13H13BrN2O2S/c14-12-6-1-2-7-13(12)19(17,18)16-11-5-3-4-10(8-11)9-15/h1-8,16H,9,15H2
InChIKeyRBTFNOBBIFPZDC-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.71
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide

N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide (PubChem CID 63254732) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide
PubChem CID63254732
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC NameN-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide
SMILESNCc1cccc(NS(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C13H13BrN2O2S/c14-12-6-1-2-7-13(12)19(17,18)16-11-5-3-4-10(8-11)9-15/h1-8,16H,9,15H2
InChIKeyRBTFNOBBIFPZDC-UHFFFAOYSA-N
XLogP2.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide
CID 63254135
N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide
CID 63254779
N-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzenesulfonamide
CID 116527872
[3-[(2-bromophenyl)sulfonylamino]phenyl]urea
CID 36510716
N-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide
CID 63254778
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
2-bromo-N-(3-nitrophenyl)benzenesulfonamide
CID 26952317
ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate
CID 8823790
2-[3-(aminomethyl)anilino]benzenesulfonamide
CID 63767784
5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide
CID 81488210
5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide
CID 106061602
N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577855

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide (CID 63254732) is N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide is NCc1cccc(NS(=O)(=O)c2ccccc2Br)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide?
The InChIKey is RBTFNOBBIFPZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c14-12-6-1-2-7-13(12)19(17,18)16-11-5-3-4-10(8-11)9-15/h1-8,16H,9,15H2.
What are the key properties of N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide?
N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide has a molecular weight of 341.23 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide is sourced from PubChem (CID 63254732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).