2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide

C10H13BrN2O2S2 — CID 103062283

IUPAC2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)NC1CCSC1
InChIInChI=1S/C10H13BrN2O2S2/c11-7-1-2-10(9(12)5-7)17(14,15)13-8-3-4-16-6-8/h1-2,5,8,13H,3-4,6,12H2
InChIKeyMJQYLDYQHCDITL-UHFFFAOYSA-N
MW337.26 g/mol
LogP1.82
Rot. Bonds3

About 2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide

2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide (PubChem CID 103062283) has the molecular formula C10H13BrN2O2S2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide
PubChem CID103062283
Molecular FormulaC10H13BrN2O2S2
Molecular Weight337.26 g/mol
Exact Mass335.96
IUPAC Name2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)NC1CCSC1
InChIInChI=1S/C10H13BrN2O2S2/c11-7-1-2-10(9(12)5-7)17(14,15)13-8-3-4-16-6-8/h1-2,5,8,13H,3-4,6,12H2
InChIKeyMJQYLDYQHCDITL-UHFFFAOYSA-N
XLogP1.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 51.82
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

2,4-dibromo-N-(thian-3-yl)benzenesulfonamide
CID 113250007
2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 106492192
2-amino-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103064624
2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide
CID 106492099
5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103062286
3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide
CID 107407116
2-bromo-4-(propylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086331
5-bromo-N-(thiolan-3-yl)pyridine-3-sulfonamide
CID 103697980
5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide
CID 103739670
5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103062299
5-bromo-2-cyclopentylsulfonylaniline
CID 81185345
5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081605

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide (CID 103062283) is 2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide is Nc1cc(Br)ccc1S(=O)(=O)NC1CCSC1.
What is the InChIKey of 2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide?
The InChIKey is MJQYLDYQHCDITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S2/c11-7-1-2-10(9(12)5-7)17(14,15)13-8-3-4-16-6-8/h1-2,5,8,13H,3-4,6,12H2.
What are the key properties of 2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide?
2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide has a molecular weight of 337.26 g/mol, XLogP of 1.82, 3 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-(thiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 103062283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).