3-amino-5-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide

C14H17BrN2O2S2 — CID 114379930

IUPAC3-amino-5-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
SMILESCCc1ccsc1CNS(=O)(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C14H17BrN2O2S2/c1-3-10-4-5-20-13(10)8-17-21(18,19)14-7-11(15)6-12(16)9(14)2/h4-7,17H,3,8,16H2,1-2H3
InChIKeyQHMHVQGNSQTUIH-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.44
Rot. Bonds5

About 3-amino-5-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide

3-amino-5-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide (PubChem CID 114379930) has the molecular formula C14H17BrN2O2S2 and a molecular weight of 389.34 g/mol. Its IUPAC name is 3-amino-5-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
PubChem CID114379930
Molecular FormulaC14H17BrN2O2S2
Molecular Weight389.34 g/mol
Exact Mass387.99
IUPAC Name3-amino-5-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
SMILESCCc1ccsc1CNS(=O)(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C14H17BrN2O2S2/c1-3-10-4-5-20-13(10)8-17-21(18,19)14-7-11(15)6-12(16)9(14)2/h4-7,17H,3,8,16H2,1-2H3
InChIKeyQHMHVQGNSQTUIH-UHFFFAOYSA-N
XLogP3.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-5-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide 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

3-amino-5-bromo-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 114378807
3-amino-5-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106006788
4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 82844047
3-amino-5-bromo-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 114379338
3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274860
3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide
CID 114380174
3-amino-5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylbenzenesulfonamide
CID 106333213
5-(aminomethyl)-3-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 81481745
3-amino-5-bromo-2-methyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 114379946
3-amino-5-bromo-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 114379208
3-amino-5-bromo-N-(3-ethylpentan-3-yl)-2-methylbenzenesulfonamide
CID 114379785
3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 114380127

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide (CID 114379930) is 3-amino-5-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide is CCc1ccsc1CNS(=O)(=O)c1cc(Br)cc(N)c1C.
What is the InChIKey of 3-amino-5-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is QHMHVQGNSQTUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S2/c1-3-10-4-5-20-13(10)8-17-21(18,19)14-7-11(15)6-12(16)9(14)2/h4-7,17H,3,8,16H2,1-2H3.
What are the key properties of 3-amino-5-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide?
3-amino-5-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 389.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 114379930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).