5-(aminomethyl)-2-bromo-N,3-dimethyl-N-phenylbenzenesulfonamide

C15H17BrN2O2S — CID 114363791

IUPAC5-(aminomethyl)-2-bromo-N,3-dimethyl-N-phenylbenzenesulfonamide
SMILESCc1cc(CN)cc(S(=O)(=O)N(C)c2ccccc2)c1Br
InChIInChI=1S/C15H17BrN2O2S/c1-11-8-12(10-17)9-14(15(11)16)21(19,20)18(2)13-6-4-3-5-7-13/h3-9H,10,17H2,1-2H3
InChIKeyGMFRHRFRCQAQEV-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.04
Rot. Bonds4

About 5-(aminomethyl)-2-bromo-N,3-dimethyl-N-phenylbenzenesulfonamide

5-(aminomethyl)-2-bromo-N,3-dimethyl-N-phenylbenzenesulfonamide (PubChem CID 114363791) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N,3-dimethyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N,3-dimethyl-N-phenylbenzenesulfonamide
PubChem CID114363791
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name5-(aminomethyl)-2-bromo-N,3-dimethyl-N-phenylbenzenesulfonamide
SMILESCc1cc(CN)cc(S(=O)(=O)N(C)c2ccccc2)c1Br
InChIInChI=1S/C15H17BrN2O2S/c1-11-8-12(10-17)9-14(15(11)16)21(19,20)18(2)13-6-4-3-5-7-13/h3-9H,10,17H2,1-2H3
InChIKeyGMFRHRFRCQAQEV-UHFFFAOYSA-N
XLogP3.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 114364538
5-(aminomethyl)-2-bromo-3-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 114363734
5-(aminomethyl)-2-bromo-N-ethyl-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 114364129
5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 114364238
5-(aminomethyl)-2-bromo-3-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055720
1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide
CID 60979524
4-(aminomethyl)-N,2-dimethyl-N-phenylaniline
CID 60930151
5-(aminomethyl)-2-bromo-N-(furan-3-ylmethyl)-3-methylbenzenesulfonamide
CID 114365803
4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide
CID 106996606
5-(aminomethyl)-2-bromo-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
CID 106063379
4-amino-5-bromo-N-methyl-N-phenylpyridine-3-sulfonamide
CID 102538867
5-(aminomethyl)-2-bromo-N-(1-methoxy-2-methylpropan-2-yl)-3-methylbenzenesulfonamide
CID 106080773

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N,3-dimethyl-N-phenylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N,3-dimethyl-N-phenylbenzenesulfonamide (CID 114363791) is 5-(aminomethyl)-2-bromo-N,3-dimethyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N,3-dimethyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N,3-dimethyl-N-phenylbenzenesulfonamide is Cc1cc(CN)cc(S(=O)(=O)N(C)c2ccccc2)c1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N,3-dimethyl-N-phenylbenzenesulfonamide?
The InChIKey is GMFRHRFRCQAQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-11-8-12(10-17)9-14(15(11)16)21(19,20)18(2)13-6-4-3-5-7-13/h3-9H,10,17H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N,3-dimethyl-N-phenylbenzenesulfonamide?
5-(aminomethyl)-2-bromo-N,3-dimethyl-N-phenylbenzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N,3-dimethyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 114363791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).