2-[(3-aminophenyl)methylsulfonylamino]acetamide

C9H13N3O3S — CID 43255729

IUPAC2-[(3-aminophenyl)methylsulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C9H13N3O3S/c10-8-3-1-2-7(4-8)6-16(14,15)12-5-9(11)13/h1-4,12H,5-6,10H2,(H2,11,13)
InChIKeyOGRPVYAAGRHVJW-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.83
Rot. Bonds5

About 2-[(3-aminophenyl)methylsulfonylamino]acetamide

2-[(3-aminophenyl)methylsulfonylamino]acetamide (PubChem CID 43255729) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methylsulfonylamino]acetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methylsulfonylamino]acetamide
PubChem CID43255729
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-[(3-aminophenyl)methylsulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C9H13N3O3S/c10-8-3-1-2-7(4-8)6-16(14,15)12-5-9(11)13/h1-4,12H,5-6,10H2,(H2,11,13)
InChIKeyOGRPVYAAGRHVJW-UHFFFAOYSA-N
XLogP-0.83
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.83
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

ethyl 2-[(3-aminophenyl)methylsulfonylamino]acetate
CID 60812498
2-[(3-aminophenyl)methylsulfonylamino]propanamide
CID 43545255
1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide
CID 61111385
1-(3-aminophenyl)-N-(2-methylsulfanylethyl)methanesulfonamide
CID 63983289
ethyl 4-[(3-aminophenyl)methylsulfonylamino]butanoate
CID 64576918
1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide
CID 107212663
[3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid
CID 66880835
1-(3-aminophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide
CID 63825144
1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide
CID 43255852
1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide
CID 61126237
1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide
CID 60914931
1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide
CID 43255960

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methylsulfonylamino]acetamide?
The IUPAC name of 2-[(3-aminophenyl)methylsulfonylamino]acetamide (CID 43255729) is 2-[(3-aminophenyl)methylsulfonylamino]acetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methylsulfonylamino]acetamide?
The canonical SMILES for 2-[(3-aminophenyl)methylsulfonylamino]acetamide is NC(=O)CNS(=O)(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)methylsulfonylamino]acetamide?
The InChIKey is OGRPVYAAGRHVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c10-8-3-1-2-7(4-8)6-16(14,15)12-5-9(11)13/h1-4,12H,5-6,10H2,(H2,11,13).
What are the key properties of 2-[(3-aminophenyl)methylsulfonylamino]acetamide?
2-[(3-aminophenyl)methylsulfonylamino]acetamide has a molecular weight of 243.29 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methylsulfonylamino]acetamide is sourced from PubChem (CID 43255729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).