2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide

C12H18ClN3O3S — CID 115355917

IUPAC2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C12H18ClN3O3S/c1-12(2,3)16-11(17)7-15-20(18,19)8-4-5-9(13)10(14)6-8/h4-6,15H,7,14H2,1-3H3,(H,16,17)
InChIKeyLTKQDPZMUDJBSZ-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.12
Rot. Bonds4

About 2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide

2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide (PubChem CID 115355917) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide
PubChem CID115355917
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C12H18ClN3O3S/c1-12(2,3)16-11(17)7-15-20(18,19)8-4-5-9(13)10(14)6-8/h4-6,15H,7,14H2,1-3H3,(H,16,17)
InChIKeyLTKQDPZMUDJBSZ-UHFFFAOYSA-N
XLogP1.12
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.12
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-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274921
3-amino-4-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106139850
2-[(6-amino-3-pyridinyl)sulfonylamino]-N-tert-butylacetamide
CID 115355870
2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355879
2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 103697245
N-tert-butyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide
CID 115357166
N-tert-butyl-2-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]acetamide
CID 115356562
3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide
CID 29267246
3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115405354
3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 53409667
N-tert-butyl-2-[(6-hydrazinyl-3-pyridinyl)sulfonylamino]acetamide
CID 115356564
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355937

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide (CID 115355917) is 2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide?
The InChIKey is LTKQDPZMUDJBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-12(2,3)16-11(17)7-15-20(18,19)8-4-5-9(13)10(14)6-8/h4-6,15H,7,14H2,1-3H3,(H,16,17).
What are the key properties of 2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide?
2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide has a molecular weight of 319.81 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide is sourced from PubChem (CID 115355917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).