3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide

C10H14BrClN2O3S — CID 55152906

IUPAC3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C10H14BrClN2O3S/c1-17-4-2-3-14-18(15,16)9-6-7(12)5-8(13)10(9)11/h5-6,14H,2-4,13H2,1H3
InChIKeyXLKLQGJMXDSFQO-UHFFFAOYSA-N
MW357.66 g/mol
LogP2.00
Rot. Bonds6

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

3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide (PubChem CID 55152906) has the molecular formula C10H14BrClN2O3S and a molecular weight of 357.66 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide
PubChem CID55152906
Molecular FormulaC10H14BrClN2O3S
Molecular Weight357.66 g/mol
Exact Mass355.96
IUPAC Name3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C10H14BrClN2O3S/c1-17-4-2-3-14-18(15,16)9-6-7(12)5-8(13)10(9)11/h5-6,14H,2-4,13H2,1H3
InChIKeyXLKLQGJMXDSFQO-UHFFFAOYSA-N
XLogP2.00
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.66
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide
CID 55153848
N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 62957416
3-amino-2-bromo-5-chloro-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64600281
3-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 62955849
5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110759335
2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43153258
3-(aminomethyl)-2,5-dichloro-N-(5-methoxypentyl)benzenesulfonamide
CID 106092698
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012272
3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide
CID 62955309
3-amino-4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 113288285
3-amino-2-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63239008
3-amino-2-bromo-5-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64519149

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide (CID 55152906) is 3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide is COCCCNS(=O)(=O)c1cc(Cl)cc(N)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide?
The InChIKey is XLKLQGJMXDSFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O3S/c1-17-4-2-3-14-18(15,16)9-6-7(12)5-8(13)10(9)11/h5-6,14H,2-4,13H2,1H3.
What are the key properties of 3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide?
3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide has a molecular weight of 357.66 g/mol, XLogP of 2.00, 6 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-(3-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 55152906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).