4-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C11H13BrN4O2S2 — CID 106089699

IUPAC4-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(CN)cc2Br)s1
InChIInChI=1S/C11H13BrN4O2S2/c1-2-10-14-15-11(19-10)16-20(17,18)9-4-3-7(6-13)5-8(9)12/h3-5H,2,6,13H2,1H3,(H,15,16)
InChIKeyRBNNOPULYDZIDW-UHFFFAOYSA-N
MW377.29 g/mol
LogP2.12
Rot. Bonds5

About 4-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

4-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 106089699) has the molecular formula C11H13BrN4O2S2 and a molecular weight of 377.29 g/mol. Its IUPAC name is 4-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID106089699
Molecular FormulaC11H13BrN4O2S2
Molecular Weight377.29 g/mol
Exact Mass375.97
IUPAC Name4-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(CN)cc2Br)s1
InChIInChI=1S/C11H13BrN4O2S2/c1-2-10-14-15-11(19-10)16-20(17,18)9-4-3-7(6-13)5-8(9)12/h3-5H,2,6,13H2,1H3,(H,15,16)
InChIKeyRBNNOPULYDZIDW-UHFFFAOYSA-N
XLogP2.12
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide
CID 106089812
5-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-3-sulfonamide
CID 106089758
4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25041652
5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-sulfonamide
CID 106089733
2-bromo-4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 103740851
5-amino-4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzenesulfonamide
CID 107641445
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,5-dimethylbenzenesulfonamide
CID 107641384
3-(aminomethyl)-5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide
CID 106089839
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide
CID 3414696
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 106000129
2-(ethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 107642976
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 20983487

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 106089699) is 4-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is CCc1nnc(NS(=O)(=O)c2ccc(CN)cc2Br)s1.
What is the InChIKey of 4-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is RBNNOPULYDZIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S2/c1-2-10-14-15-11(19-10)16-20(17,18)9-4-3-7(6-13)5-8(9)12/h3-5H,2,6,13H2,1H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 377.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106089699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).