N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide

C13H15BrN2O2S2 — CID 106061370

IUPACN-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)s1
InChIInChI=1S/C13H15BrN2O2S2/c1-2-15-9-12-7-8-13(19-12)20(17,18)16-11-5-3-10(14)4-6-11/h3-8,15-16H,2,9H2,1H3
InChIKeyRIMURUDKRIEXCD-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.42
Rot. Bonds6

About N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide

N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106061370) has the molecular formula C13H15BrN2O2S2 and a molecular weight of 375.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
PubChem CID106061370
Molecular FormulaC13H15BrN2O2S2
Molecular Weight375.31 g/mol
Exact Mass373.98
IUPAC NameN-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)s1
InChIInChI=1S/C13H15BrN2O2S2/c1-2-15-9-12-7-8-13(19-12)20(17,18)16-11-5-3-10(14)4-6-11/h3-8,15-16H,2,9H2,1H3
InChIKeyRIMURUDKRIEXCD-UHFFFAOYSA-N
XLogP3.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106061369
N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106058540
5-(ethylaminomethyl)-N-(6-methyl-3-pyridinyl)thiophene-2-sulfonamide
CID 106073184
N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106066943
5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 106029593
N-(5-bromo-6-methyl-2-pyridinyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106070374
N-(4-bromophenyl)-2-(ethylaminomethyl)benzenesulfonamide
CID 106061384
5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074733
N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 106911287
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
N-(4-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060756
N-[[5-[(4-methylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553822

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide (CID 106061370) is N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide is CCNCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)s1.
What is the InChIKey of N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is RIMURUDKRIEXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S2/c1-2-15-9-12-7-8-13(19-12)20(17,18)16-11-5-3-10(14)4-6-11/h3-8,15-16H,2,9H2,1H3.
What are the key properties of N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide?
N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 375.31 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106061370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).