N-[2-amino-5-(2-methylphenyl)sulfonylphenyl]acetamide

C15H16N2O3S — CID 70625684

IUPACN-[2-amino-5-(2-methylphenyl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)c2ccccc2C)ccc1N
InChIInChI=1S/C15H16N2O3S/c1-10-5-3-4-6-15(10)21(19,20)12-7-8-13(16)14(9-12)17-11(2)18/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyVRWJZQMSRVDKJT-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.37
Rot. Bonds3

About N-[2-amino-5-(2-methylphenyl)sulfonylphenyl]acetamide

N-[2-amino-5-(2-methylphenyl)sulfonylphenyl]acetamide (PubChem CID 70625684) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[2-amino-5-(2-methylphenyl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-5-(2-methylphenyl)sulfonylphenyl]acetamide
PubChem CID70625684
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[2-amino-5-(2-methylphenyl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)c2ccccc2C)ccc1N
InChIInChI=1S/C15H16N2O3S/c1-10-5-3-4-6-15(10)21(19,20)12-7-8-13(16)14(9-12)17-11(2)18/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyVRWJZQMSRVDKJT-UHFFFAOYSA-N
XLogP2.37
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093732
3-acetamido-5-amino-4-hydroxybenzenesulfonate
CID 36691339
N-[2-(4-amino-3-methylphenyl)sulfonyl-3-(diethylamino)phenyl]acetamide;4-methylbenzenesulfonamide
CID 163949013
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
N-[2-(2-amino-6-methylphenyl)-3-methylphenyl]acetamide
CID 135260414
4-(2-hydroxyphenyl)sulfonyl-2-methylphenol
CID 101301578
[2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride
CID 140973464
N-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide
CID 825465
(1S,2S)-1-[4-(2-methylphenyl)sulfonylphenyl]-2-phenylethane-1,2-diamine
CID 67042946
N-[4-(2-fluorophenyl)sulfonylphenyl]acetamide
CID 70364757
N-[2-(2-acetamido-6-methylphenyl)-3-methylphenyl]acetamide
CID 22971546
(2-methylphenyl)sulfonylurea
CID 20975378

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(2-methylphenyl)sulfonylphenyl]acetamide?
The IUPAC name of N-[2-amino-5-(2-methylphenyl)sulfonylphenyl]acetamide (CID 70625684) is N-[2-amino-5-(2-methylphenyl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[2-amino-5-(2-methylphenyl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[2-amino-5-(2-methylphenyl)sulfonylphenyl]acetamide is CC(=O)Nc1cc(S(=O)(=O)c2ccccc2C)ccc1N.
What is the InChIKey of N-[2-amino-5-(2-methylphenyl)sulfonylphenyl]acetamide?
The InChIKey is VRWJZQMSRVDKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-5-3-4-6-15(10)21(19,20)12-7-8-13(16)14(9-12)17-11(2)18/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of N-[2-amino-5-(2-methylphenyl)sulfonylphenyl]acetamide?
N-[2-amino-5-(2-methylphenyl)sulfonylphenyl]acetamide has a molecular weight of 304.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(2-methylphenyl)sulfonylphenyl]acetamide is sourced from PubChem (CID 70625684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).