3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide

C11H14BrClN2O3S — CID 82725620

IUPAC3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1OCCC1NS(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C11H14BrClN2O3S/c1-6-9(2-3-18-6)15-19(16,17)10-5-7(13)4-8(14)11(10)12/h4-6,9,15H,2-3,14H2,1H3
InChIKeyIKRYVKMBKQFMNU-UHFFFAOYSA-N
MW369.67 g/mol
LogP2.14
Rot. Bonds3

About 3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide

3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 82725620) has the molecular formula C11H14BrClN2O3S and a molecular weight of 369.67 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide
PubChem CID82725620
Molecular FormulaC11H14BrClN2O3S
Molecular Weight369.67 g/mol
Exact Mass367.96
IUPAC Name3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1OCCC1NS(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C11H14BrClN2O3S/c1-6-9(2-3-18-6)15-19(16,17)10-5-7(13)4-8(14)11(10)12/h4-6,9,15H,2-3,14H2,1H3
InChIKeyIKRYVKMBKQFMNU-UHFFFAOYSA-N
XLogP2.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.67
LogP ≤ 52.14
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

3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076335
3-amino-2-bromo-5-chloro-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 114502876
2,5-dichloro-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076311
5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82725317
3-amino-2-bromo-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
CID 62956544
5-(aminomethyl)-2-bromo-N-(2-methyloxolan-3-yl)furan-3-sulfonamide
CID 106076206
4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82725622
2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82736291
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012272
3-amino-2-bromo-5-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628401
3-amino-2-bromo-5-chloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide
CID 63922300
3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide
CID 62955309

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide (CID 82725620) is 3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide is CC1OCCC1NS(=O)(=O)c1cc(Cl)cc(N)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is IKRYVKMBKQFMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O3S/c1-6-9(2-3-18-6)15-19(16,17)10-5-7(13)4-8(14)11(10)12/h4-6,9,15H,2-3,14H2,1H3.
What are the key properties of 3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide?
3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 369.67 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82725620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).