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

C10H13BrClN3O3S — CID 62955849

IUPAC3-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C10H13BrClN3O3S/c1-14-9(16)2-3-15-19(17,18)8-5-6(12)4-7(13)10(8)11/h4-5,15H,2-3,13H2,1H3,(H,14,16)
InChIKeyWZVOHHUVMRGRTP-UHFFFAOYSA-N
MW370.66 g/mol
LogP1.10
Rot. Bonds5

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

3-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 62955849) has the molecular formula C10H13BrClN3O3S and a molecular weight of 370.66 g/mol. Its IUPAC name is 3-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide
PubChem CID62955849
Molecular FormulaC10H13BrClN3O3S
Molecular Weight370.66 g/mol
Exact Mass368.95
IUPAC Name3-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C10H13BrClN3O3S/c1-14-9(16)2-3-15-19(17,18)8-5-6(12)4-7(13)10(8)11/h4-5,15H,2-3,13H2,1H3,(H,14,16)
InChIKeyWZVOHHUVMRGRTP-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 62957416
3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide
CID 55153848
3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide
CID 55152906
3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 79889074
3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 103052007
3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47062283
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide
CID 61059689
3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 103052009
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012272
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
3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47305418

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of 3-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide (CID 62955849) is 3-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide is CNC(=O)CCNS(=O)(=O)c1cc(Cl)cc(N)c1Br.
What is the InChIKey of 3-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is WZVOHHUVMRGRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3O3S/c1-14-9(16)2-3-15-19(17,18)8-5-6(12)4-7(13)10(8)11/h4-5,15H,2-3,13H2,1H3,(H,14,16).
What are the key properties of 3-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide?
3-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide 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 3-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 62955849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).