4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide

C11H17N3O3S — CID 60864084

IUPAC4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(N)cc1S(=O)(=O)NCCCC(N)=O
InChIInChI=1S/C11H17N3O3S/c1-8-4-5-9(12)7-10(8)18(16,17)14-6-2-3-11(13)15/h4-5,7,14H,2-3,6,12H2,1H3,(H2,13,15)
InChIKeyDBWPHQBVJYRCAV-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.12
Rot. Bonds6

About 4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide

4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide (PubChem CID 60864084) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound Name4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide
PubChem CID60864084
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(N)cc1S(=O)(=O)NCCCC(N)=O
InChIInChI=1S/C11H17N3O3S/c1-8-4-5-9(12)7-10(8)18(16,17)14-6-2-3-11(13)15/h4-5,7,14H,2-3,6,12H2,1H3,(H2,13,15)
InChIKeyDBWPHQBVJYRCAV-UHFFFAOYSA-N
XLogP0.12
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843500
methyl 4-amino-2-[(4-amino-4-oxobutyl)sulfamoyl]benzoate
CID 102931018
5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide
CID 106233687
4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide
CID 79897336
5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54936764
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide
CID 43553101
3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide
CID 65202243
5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034479
5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide
CID 106233651
4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide
CID 54888437
5-amino-2-methyl-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 78984276
5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide
CID 106233539

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide?
The IUPAC name of 4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide (CID 60864084) is 4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for 4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide?
The canonical SMILES for 4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide is Cc1ccc(N)cc1S(=O)(=O)NCCCC(N)=O.
What is the InChIKey of 4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide?
The InChIKey is DBWPHQBVJYRCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8-4-5-9(12)7-10(8)18(16,17)14-6-2-3-11(13)15/h4-5,7,14H,2-3,6,12H2,1H3,(H2,13,15).
What are the key properties of 4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide?
4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide has a molecular weight of 271.34 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 60864084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).