5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide

C11H10BrN3O4S2 — CID 62196825

IUPAC5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCCc1nccs1
InChIInChI=1S/C11H10BrN3O4S2/c12-8-1-2-9(15(16)17)10(7-8)21(18,19)14-4-3-11-13-5-6-20-11/h1-2,5-7,14H,3-4H2
InChIKeyDQHBTAPUZXVZTB-UHFFFAOYSA-N
MW392.26 g/mol
LogP2.33
Rot. Bonds6

About 5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide

5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 62196825) has the molecular formula C11H10BrN3O4S2 and a molecular weight of 392.26 g/mol. Its IUPAC name is 5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID62196825
Molecular FormulaC11H10BrN3O4S2
Molecular Weight392.26 g/mol
Exact Mass390.93
IUPAC Name5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCCc1nccs1
InChIInChI=1S/C11H10BrN3O4S2/c12-8-1-2-9(15(16)17)10(7-8)21(18,19)14-4-3-11-13-5-6-20-11/h1-2,5-7,14H,3-4H2
InChIKeyDQHBTAPUZXVZTB-UHFFFAOYSA-N
XLogP2.33
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 49460259
5-bromo-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
CID 61052286
5-bromo-N-[2-(methanesulfonamido)ethyl]-2-nitrobenzenesulfonamide
CID 61016762
N-(4-aminobutyl)-5-bromo-2-nitrobenzenesulfonamide;hydrochloride
CID 120583812
5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 80744778
5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 65206505
N-(3-aminobutyl)-5-bromo-2-nitrobenzenesulfonamide;hydrochloride
CID 119972778
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-nitrobenzenesulfonamide
CID 61069071
2-[(5-bromo-2-nitrophenyl)sulfonylamino]ethylurea
CID 83110096
4-[(5-bromo-2-nitrophenyl)sulfonylamino]butanoic acid
CID 61063298
5-bromo-N-(4-methylsulfanylbutyl)-2-nitrobenzenesulfonamide
CID 115638728
5-bromo-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 104600366

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 62196825) is 5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCCc1nccs1.
What is the InChIKey of 5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is DQHBTAPUZXVZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O4S2/c12-8-1-2-9(15(16)17)10(7-8)21(18,19)14-4-3-11-13-5-6-20-11/h1-2,5-7,14H,3-4H2.
What are the key properties of 5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 392.26 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 62196825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).