2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide

C12H18ClN3O3S — CID 43577418

IUPAC2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCc1c(N)cc(S(=O)(=O)NC(C)C(=O)N(C)C)cc1Cl
InChIInChI=1S/C12H18ClN3O3S/c1-7-10(13)5-9(6-11(7)14)20(18,19)15-8(2)12(17)16(3)4/h5-6,8,15H,14H2,1-4H3
InChIKeyNVBJJPDLMZDNQT-UHFFFAOYSA-N
MW319.81 g/mol
LogP0.99
Rot. Bonds4

About 2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide

2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide (PubChem CID 43577418) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
PubChem CID43577418
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCc1c(N)cc(S(=O)(=O)NC(C)C(=O)N(C)C)cc1Cl
InChIInChI=1S/C12H18ClN3O3S/c1-7-10(13)5-9(6-11(7)14)20(18,19)15-8(2)12(17)16(3)4/h5-6,8,15H,14H2,1-4H3
InChIKeyNVBJJPDLMZDNQT-UHFFFAOYSA-N
XLogP0.99
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 50.99
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

3-amino-5-chloro-N-(3,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 104827361
3-amino-5-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methylbenzenesulfonamide
CID 65310566
3-amino-5-chloro-N-(1-cyclopropylethyl)-4-methylbenzenesulfonamide
CID 43533143
2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 82843638
2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567655
3-amino-5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylbenzenesulfonamide
CID 106153506
2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 43577463
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47203596
2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 103077310
3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 43345878
3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 43524314
2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 103171167

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide (CID 43577418) is 2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide is Cc1c(N)cc(S(=O)(=O)NC(C)C(=O)N(C)C)cc1Cl.
What is the InChIKey of 2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide?
The InChIKey is NVBJJPDLMZDNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-7-10(13)5-9(6-11(7)14)20(18,19)15-8(2)12(17)16(3)4/h5-6,8,15H,14H2,1-4H3.
What are the key properties of 2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide?
2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide has a molecular weight of 319.81 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 43577418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).