2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide

C11H15BrN4O2S2 — CID 106218496

IUPAC2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)c2cn[nH]c2)c(Br)s1
InChIInChI=1S/C11H15BrN4O2S2/c1-7(8-4-14-15-5-8)16-20(17,18)10-3-9(6-13-2)19-11(10)12/h3-5,7,13,16H,6H2,1-2H3,(H,14,15)
InChIKeyQPSUFDODCXCNMX-UHFFFAOYSA-N
MW379.31 g/mol
LogP1.99
Rot. Bonds6

About 2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide

2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106218496) has the molecular formula C11H15BrN4O2S2 and a molecular weight of 379.31 g/mol. Its IUPAC name is 2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106218496
Molecular FormulaC11H15BrN4O2S2
Molecular Weight379.31 g/mol
Exact Mass377.98
IUPAC Name2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)c2cn[nH]c2)c(Br)s1
InChIInChI=1S/C11H15BrN4O2S2/c1-7(8-4-14-15-5-8)16-20(17,18)10-3-9(6-13-2)19-11(10)12/h3-5,7,13,16H,6H2,1-2H3,(H,14,15)
InChIKeyQPSUFDODCXCNMX-UHFFFAOYSA-N
XLogP1.99
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-bromo-4-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]thiophene-2-carboxylate
CID 103854129
2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide
CID 114134489
4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106218494
2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
CID 106018991
5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106218637
2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide
CID 103854257
2-bromo-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077638
2-bromo-5-(ethylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106283745
4-(aminomethyl)-2-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106218634
2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106215347
2-bromo-N-(1-methoxypentan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106068580
3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208359

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide (CID 106218496) is 2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NC(C)c2cn[nH]c2)c(Br)s1.
What is the InChIKey of 2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is QPSUFDODCXCNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2S2/c1-7(8-4-14-15-5-8)16-20(17,18)10-3-9(6-13-2)19-11(10)12/h3-5,7,13,16H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide?
2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 379.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106218496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).