N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide

C10H13BrClN3O3S — CID 62957416

IUPACN-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C10H13BrClN3O3S/c1-6(16)14-2-3-15-19(17,18)9-5-7(12)4-8(13)10(9)11/h4-5,15H,2-3,13H2,1H3,(H,14,16)
InChIKeyAFSAWQLHUQRAKT-UHFFFAOYSA-N
MW370.66 g/mol
LogP1.10
Rot. Bonds5

About N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide

N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide (PubChem CID 62957416) has the molecular formula C10H13BrClN3O3S and a molecular weight of 370.66 g/mol. Its IUPAC name is N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide
PubChem CID62957416
Molecular FormulaC10H13BrClN3O3S
Molecular Weight370.66 g/mol
Exact Mass368.95
IUPAC NameN-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C10H13BrClN3O3S/c1-6(16)14-2-3-15-19(17,18)9-5-7(12)4-8(13)10(9)11/h4-5,15H,2-3,13H2,1H3,(H,14,16)
InChIKeyAFSAWQLHUQRAKT-UHFFFAOYSA-N
XLogP1.10
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.66
LogP ≤ 51.10
H-Bond Donors ≤ 53
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-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 62955849
3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide
CID 55153848
3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide
CID 55152906
3-[2-[(3-amino-5-chloro-2-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 114380073
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012272
3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide
CID 62955309
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-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119168
3-amino-2-bromo-5-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64519149
N-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 62146789
N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 32675868
3-amino-2-bromo-5-chloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 62955823

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide (CID 62957416) is N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1cc(Cl)cc(N)c1Br.
What is the InChIKey of N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is AFSAWQLHUQRAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3O3S/c1-6(16)14-2-3-15-19(17,18)9-5-7(12)4-8(13)10(9)11/h4-5,15H,2-3,13H2,1H3,(H,14,16).
What are the key properties of N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide?
N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 370.66 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 62957416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).