4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide

C14H14Br2N2O2S — CID 106088126

IUPAC4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide
SMILESCc1c(Br)cccc1NS(=O)(=O)c1ccc(CN)cc1Br
InChIInChI=1S/C14H14Br2N2O2S/c1-9-11(15)3-2-4-13(9)18-21(19,20)14-6-5-10(8-17)7-12(14)16/h2-7,18H,8,17H2,1H3
InChIKeyPMWUDGUMSJKIAH-UHFFFAOYSA-N
MW434.15 g/mol
LogP3.78
Rot. Bonds4

About 4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide

4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide (PubChem CID 106088126) has the molecular formula C14H14Br2N2O2S and a molecular weight of 434.15 g/mol. Its IUPAC name is 4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide
PubChem CID106088126
Molecular FormulaC14H14Br2N2O2S
Molecular Weight434.15 g/mol
Exact Mass431.91
IUPAC Name4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide
SMILESCc1c(Br)cccc1NS(=O)(=O)c1ccc(CN)cc1Br
InChIInChI=1S/C14H14Br2N2O2S/c1-9-11(15)3-2-4-13(9)18-21(19,20)14-6-5-10(8-17)7-12(14)16/h2-7,18H,8,17H2,1H3
InChIKeyPMWUDGUMSJKIAH-UHFFFAOYSA-N
XLogP3.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.15
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(3-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 106088177
5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide
CID 28717477
N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide
CID 63254135
3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide
CID 106088180
4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
CID 106996572
5-amino-N-(3-bromo-2-methylphenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 107624447
4-(aminomethyl)-2-bromo-N-(2-chloro-4-iodophenyl)benzenesulfonamide
CID 106006535
5-amino-N-(3-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 107624395
4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 43256354
3-(aminomethyl)-N-(2-bromophenyl)-2-methylbenzenesulfonamide
CID 106061237
5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 106030675
5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide
CID 106061602

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide (CID 106088126) is 4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide is Cc1c(Br)cccc1NS(=O)(=O)c1ccc(CN)cc1Br.
What is the InChIKey of 4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide?
The InChIKey is PMWUDGUMSJKIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2S/c1-9-11(15)3-2-4-13(9)18-21(19,20)14-6-5-10(8-17)7-12(14)16/h2-7,18H,8,17H2,1H3.
What are the key properties of 4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide?
4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide has a molecular weight of 434.15 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 106088126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).