2-[(4-methylphenyl)sulfonylamino]acetamide

C9H12N2O3S — CID 894071

IUPAC2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(N)=O)cc1
InChIInChI=1S/C9H12N2O3S/c1-7-2-4-8(5-3-7)15(13,14)11-6-9(10)12/h2-5,11H,6H2,1H3,(H2,10,12)
InChIKeySIKCRDUFNXXBGP-UHFFFAOYSA-N
MW228.27 g/mol
LogP-0.24
Rot. Bonds4

About 2-[(4-methylphenyl)sulfonylamino]acetamide

2-[(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 894071) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]acetamide
PubChem CID894071
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(N)=O)cc1
InChIInChI=1S/C9H12N2O3S/c1-7-2-4-8(5-3-7)15(13,14)11-6-9(10)12/h2-5,11H,6H2,1H3,(H2,10,12)
InChIKeySIKCRDUFNXXBGP-UHFFFAOYSA-N
XLogP-0.24
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]acetamide (CID 894071) is 2-[(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)NCC(N)=O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is SIKCRDUFNXXBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-7-2-4-8(5-3-7)15(13,14)11-6-9(10)12/h2-5,11H,6H2,1H3,(H2,10,12).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]acetamide?
2-[(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 228.27 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 894071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).