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

C14H17BrN2O2S2 — CID 106061369

IUPACN-(4-bromophenyl)-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)s1
InChIInChI=1S/C14H17BrN2O2S2/c1-2-9-16-10-13-7-8-14(20-13)21(18,19)17-12-5-3-11(15)4-6-12/h3-8,16-17H,2,9-10H2,1H3
InChIKeyMKPAZHWNKKINTO-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.81
Rot. Bonds7

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

N-(4-bromophenyl)-5-(propylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106061369) has the molecular formula C14H17BrN2O2S2 and a molecular weight of 389.34 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(propylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(propylaminomethyl)thiophene-2-sulfonamide
PubChem CID106061369
Molecular FormulaC14H17BrN2O2S2
Molecular Weight389.34 g/mol
Exact Mass387.99
IUPAC NameN-(4-bromophenyl)-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)s1
InChIInChI=1S/C14H17BrN2O2S2/c1-2-9-16-10-13-7-8-14(20-13)21(18,19)17-12-5-3-11(15)4-6-12/h3-8,16-17H,2,9-10H2,1H3
InChIKeyMKPAZHWNKKINTO-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

N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106061370
N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106061353
N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106082756
N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106058540
N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106017196
N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055808
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106063275
5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 106029593
5-(ethylaminomethyl)-N-(6-methyl-3-pyridinyl)thiophene-2-sulfonamide
CID 106073184
N-(4-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060756
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(propylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-bromophenyl)-5-(propylaminomethyl)thiophene-2-sulfonamide (CID 106061369) is N-(4-bromophenyl)-5-(propylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-5-(propylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)-5-(propylaminomethyl)thiophene-2-sulfonamide is CCCNCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)s1.
What is the InChIKey of N-(4-bromophenyl)-5-(propylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is MKPAZHWNKKINTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S2/c1-2-9-16-10-13-7-8-14(20-13)21(18,19)17-12-5-3-11(15)4-6-12/h3-8,16-17H,2,9-10H2,1H3.
What are the key properties of N-(4-bromophenyl)-5-(propylaminomethyl)thiophene-2-sulfonamide?
N-(4-bromophenyl)-5-(propylaminomethyl)thiophene-2-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)-5-(propylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106061369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).