4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide

C14H17BrN2O2S2 — CID 106050184

IUPAC4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(CN)cc2Br)s1
InChIInChI=1S/C14H17BrN2O2S2/c1-9-3-5-13(20-9)10(2)17-21(18,19)14-6-4-11(8-16)7-12(14)15/h3-7,10,17H,8,16H2,1-2H3
InChIKeyQUMVOVKUOPLPBQ-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.32
Rot. Bonds5

About 4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide

4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide (PubChem CID 106050184) has the molecular formula C14H17BrN2O2S2 and a molecular weight of 389.34 g/mol. Its IUPAC name is 4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
PubChem CID106050184
Molecular FormulaC14H17BrN2O2S2
Molecular Weight389.34 g/mol
Exact Mass387.99
IUPAC Name4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(CN)cc2Br)s1
InChIInChI=1S/C14H17BrN2O2S2/c1-9-3-5-13(20-9)10(2)17-21(18,19)14-6-4-11(8-16)7-12(14)15/h3-7,10,17H,8,16H2,1-2H3
InChIKeyQUMVOVKUOPLPBQ-UHFFFAOYSA-N
XLogP3.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 106050355
4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide
CID 106035478
2-amino-4-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 61474985
4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide
CID 114134360
4-(aminomethyl)-2-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106218634
4-(aminomethyl)-2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 106009441
1-amino-N-[1-(5-methylthiophen-2-yl)ethyl]propane-2-sulfonamide
CID 106050246
4-(aminomethyl)-2-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055573
3-amino-5-fluoro-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 116791724
2-(ethylamino)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-sulfonamide
CID 62153288
5-(aminomethyl)-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106079153
4-amino-2-bromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43534326

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide (CID 106050184) is 4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2ccc(CN)cc2Br)s1.
What is the InChIKey of 4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The InChIKey is QUMVOVKUOPLPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S2/c1-9-3-5-13(20-9)10(2)17-21(18,19)14-6-4-11(8-16)7-12(14)15/h3-7,10,17H,8,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide has a molecular weight of 389.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106050184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).