5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide

C14H14Br2N2O2S — CID 106061602

IUPAC5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide
SMILESCc1c(Br)cc(CN)cc1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H14Br2N2O2S/c1-9-13(16)5-10(8-17)6-14(9)21(19,20)18-12-4-2-3-11(15)7-12/h2-7,18H,8,17H2,1H3
InChIKeyRREOCUUVVMNULU-UHFFFAOYSA-N
MW434.15 g/mol
LogP3.78
Rot. Bonds4

About 5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide

5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide (PubChem CID 106061602) has the molecular formula C14H14Br2N2O2S and a molecular weight of 434.15 g/mol. Its IUPAC name is 5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide
PubChem CID106061602
Molecular FormulaC14H14Br2N2O2S
Molecular Weight434.15 g/mol
Exact Mass431.91
IUPAC Name5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide
SMILESCc1c(Br)cc(CN)cc1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H14Br2N2O2S/c1-9-13(16)5-10(8-17)6-14(9)21(19,20)18-12-4-2-3-11(15)7-12/h2-7,18H,8,17H2,1H3
InChIKeyRREOCUUVVMNULU-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

5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide
CID 81488210
5-(aminomethyl)-3-bromo-N-(3-iodophenyl)-2-methylbenzenesulfonamide
CID 106029454
3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide
CID 106061577
5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 106061488
N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide
CID 63254135
N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide
CID 63254732
5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081247
N-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzenesulfonamide
CID 116527872
4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide
CID 106088126
5-(aminomethyl)-3-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 81481745
5-(aminomethyl)-3-bromo-2-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 106059205
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide (CID 106061602) is 5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide is Cc1c(Br)cc(CN)cc1S(=O)(=O)Nc1cccc(Br)c1.
What is the InChIKey of 5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide?
The InChIKey is RREOCUUVVMNULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2S/c1-9-13(16)5-10(8-17)6-14(9)21(19,20)18-12-4-2-3-11(15)7-12/h2-7,18H,8,17H2,1H3.
What are the key properties of 5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide?
5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide 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 5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106061602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).