2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C12H13BrN2O2S2 — CID 43257668

IUPAC2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)NCCc1cccs1
InChIInChI=1S/C12H13BrN2O2S2/c13-9-3-4-12(11(14)8-9)19(16,17)15-6-5-10-2-1-7-18-10/h1-4,7-8,15H,5-6,14H2
InChIKeyZDBPTLQQSNZKCW-UHFFFAOYSA-N
MW361.29 g/mol
LogP2.61
Rot. Bonds5

About 2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide

2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 43257668) has the molecular formula C12H13BrN2O2S2 and a molecular weight of 361.29 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID43257668
Molecular FormulaC12H13BrN2O2S2
Molecular Weight361.29 g/mol
Exact Mass359.96
IUPAC Name2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)NCCc1cccs1
InChIInChI=1S/C12H13BrN2O2S2/c13-9-3-4-12(11(14)8-9)19(16,17)15-6-5-10-2-1-7-18-10/h1-4,7-8,15H,5-6,14H2
InChIKeyZDBPTLQQSNZKCW-UHFFFAOYSA-N
XLogP2.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-bromo-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 114624888
3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793268
2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 62144010
2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61450114
2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 40753479
5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 79931997
3-amino-2-nitro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 115993312
4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79588588
3-amino-5-bromo-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 114378807
4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 47316710
5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43662942
2-amino-4-bromo-N-pent-4-ynylbenzenesulfonamide
CID 114159863

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 43257668) is 2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide is Nc1cc(Br)ccc1S(=O)(=O)NCCc1cccs1.
What is the InChIKey of 2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is ZDBPTLQQSNZKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S2/c13-9-3-4-12(11(14)8-9)19(16,17)15-6-5-10-2-1-7-18-10/h1-4,7-8,15H,5-6,14H2.
What are the key properties of 2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 361.29 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 43257668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).