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

C14H17BrN2O2S2 — CID 106061246

IUPACN-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1csc(S(=O)(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C14H17BrN2O2S2/c1-2-7-16-9-11-8-14(20-10-11)21(18,19)17-13-6-4-3-5-12(13)15/h3-6,8,10,16-17H,2,7,9H2,1H3
InChIKeyQQLQZGMWTIRKLL-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.81
Rot. Bonds7

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

N-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106061246) has the molecular formula C14H17BrN2O2S2 and a molecular weight of 389.34 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
PubChem CID106061246
Molecular FormulaC14H17BrN2O2S2
Molecular Weight389.34 g/mol
Exact Mass387.99
IUPAC NameN-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1csc(S(=O)(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C14H17BrN2O2S2/c1-2-7-16-9-11-8-14(20-10-11)21(18,19)17-13-6-4-3-5-12(13)15/h3-6,8,10,16-17H,2,7,9H2,1H3
InChIKeyQQLQZGMWTIRKLL-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-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106076005
N-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106060490
N-(3-bromo-2-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106062188
N-(3-bromo-4-pyridinyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106076061
4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide
CID 106018431
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055654
N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087225
N-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106003238
N-(3-methylsulfanylpropyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106066323
N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106060359
N-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106067102
N-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106067208

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide (CID 106061246) is N-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide is CCCNCc1csc(S(=O)(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is QQLQZGMWTIRKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S2/c1-2-7-16-9-11-8-14(20-10-11)21(18,19)17-13-6-4-3-5-12(13)15/h3-6,8,10,16-17H,2,7,9H2,1H3.
What are the key properties of N-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide?
N-(2-bromophenyl)-4-(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-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106061246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).