2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide

C12H18ClN3O3S — CID 43567655

IUPAC2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCc1c(N)cc(S(=O)(=O)NCC(=O)NC(C)C)cc1Cl
InChIInChI=1S/C12H18ClN3O3S/c1-7(2)16-12(17)6-15-20(18,19)9-4-10(13)8(3)11(14)5-9/h4-5,7,15H,6,14H2,1-3H3,(H,16,17)
InChIKeyUZFFKBWQWRPFAV-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.03
Rot. Bonds5

About 2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide

2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 43567655) 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-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
PubChem CID43567655
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCc1c(N)cc(S(=O)(=O)NCC(=O)NC(C)C)cc1Cl
InChIInChI=1S/C12H18ClN3O3S/c1-7(2)16-12(17)6-15-20(18,19)9-4-10(13)8(3)11(14)5-9/h4-5,7,15H,6,14H2,1-3H3,(H,16,17)
InChIKeyUZFFKBWQWRPFAV-UHFFFAOYSA-N
XLogP1.03
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.03
H-Bond Donors ≤ 53
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-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 43345878
2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 115421255
3-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 107843755
3-amino-5-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methylbenzenesulfonamide
CID 65310566
2-[(5-amino-2-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567646
3-amino-5-chloro-N-[3-(methanesulfonamido)propyl]-4-methylbenzenesulfonamide
CID 106333250
3-amino-5-chloro-4-methyl-N-pentylbenzenesulfonamide
CID 29030378
2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 43577418
3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide
CID 43371503
3-amino-5-chloro-N-(3,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 104827361
3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 29297863
3-amino-5-chloro-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 61107120

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide (CID 43567655) is 2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide is Cc1c(N)cc(S(=O)(=O)NCC(=O)NC(C)C)cc1Cl.
What is the InChIKey of 2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is UZFFKBWQWRPFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-7(2)16-12(17)6-15-20(18,19)9-4-10(13)8(3)11(14)5-9/h4-5,7,15H,6,14H2,1-3H3,(H,16,17).
What are the key properties of 2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide?
2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 319.81 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 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-propan-2-ylacetamide is sourced from PubChem (CID 43567655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).