N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide

C14H17BrN2O2S2 — CID 106061353

IUPACN-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O2S2/c1-2-8-16-10-13-14(7-9-20-13)21(18,19)17-12-5-3-11(15)4-6-12/h3-7,9,16-17H,2,8,10H2,1H3
InChIKeyDQDOWFWIGKBKPQ-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.81
Rot. Bonds7

About N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide

N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106061353) has the molecular formula C14H17BrN2O2S2 and a molecular weight of 389.34 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
PubChem CID106061353
Molecular FormulaC14H17BrN2O2S2
Molecular Weight389.34 g/mol
Exact Mass387.99
IUPAC NameN-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O2S2/c1-2-8-16-10-13-14(7-9-20-13)21(18,19)17-12-5-3-11(15)4-6-12/h3-7,9,16-17H,2,8,10H2,1H3
InChIKeyDQDOWFWIGKBKPQ-UHFFFAOYSA-N
XLogP3.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088593
N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106007249
N-(4-bromophenyl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106061369
N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106331888
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106082739
N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106017177
N-(5-methyl-1,3-thiazol-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106060935
2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide
CID 79361702
N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107215762
N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106080826
N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106078715
2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide
CID 106056142

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide (CID 106061353) is N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide is CCCNCc1sccc1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is DQDOWFWIGKBKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S2/c1-2-8-16-10-13-14(7-9-20-13)21(18,19)17-12-5-3-11(15)4-6-12/h3-7,9,16-17H,2,8,10H2,1H3.
What are the key properties of N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 389.34 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106061353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).