N-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide

C11H17N3O5S2 — CID 62146789

IUPACN-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1N
InChIInChI=1S/C11H17N3O5S2/c1-8(15)13-5-6-14-21(18,19)11-7-9(20(2,16)17)3-4-10(11)12/h3-4,7,14H,5-6,12H2,1-2H3,(H,13,15)
InChIKeyMHQCESLMKNZMMT-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.91
Rot. Bonds6

About N-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide

N-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 62146789) has the molecular formula C11H17N3O5S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID62146789
Molecular FormulaC11H17N3O5S2
Molecular Weight335.41 g/mol
Exact Mass335.06
IUPAC NameN-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1N
InChIInChI=1S/C11H17N3O5S2/c1-8(15)13-5-6-14-21(18,19)11-7-9(20(2,16)17)3-4-10(11)12/h3-4,7,14H,5-6,12H2,1-2H3,(H,13,15)
InChIKeyMHQCESLMKNZMMT-UHFFFAOYSA-N
XLogP-0.91
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 110759438
N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 43552681
2-amino-N-[3-(dimethylamino)propyl]-5-methylsulfonylbenzenesulfonamide
CID 62145409
N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide
CID 110356844
N-[2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 116791512
N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 43552821
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 62957416
N-[2-[[5-(4-fluorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]ethyl]acetamide
CID 57430469
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 60918249

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide (CID 62146789) is N-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1N.
What is the InChIKey of N-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is MHQCESLMKNZMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S2/c1-8(15)13-5-6-14-21(18,19)11-7-9(20(2,16)17)3-4-10(11)12/h3-4,7,14H,5-6,12H2,1-2H3,(H,13,15).
What are the key properties of N-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide?
N-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 335.41 g/mol, XLogP of -0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 62146789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).