2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide

C11H14ClN3O5S — CID 43397585

IUPAC2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14ClN3O5S/c1-7(2)14-11(16)6-13-21(19,20)8-3-4-9(12)10(5-8)15(17)18/h3-5,7,13H,6H2,1-2H3,(H,14,16)
InChIKeyNFKHPJKGUANSIE-UHFFFAOYSA-N
MW335.77 g/mol
LogP1.05
Rot. Bonds6

About 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide

2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 43397585) has the molecular formula C11H14ClN3O5S and a molecular weight of 335.77 g/mol. Its IUPAC name is 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide
PubChem CID43397585
Molecular FormulaC11H14ClN3O5S
Molecular Weight335.77 g/mol
Exact Mass335.03
IUPAC Name2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14ClN3O5S/c1-7(2)14-11(16)6-13-21(19,20)8-3-4-9(12)10(5-8)15(17)18/h3-5,7,13H,6H2,1-2H3,(H,14,16)
InChIKeyNFKHPJKGUANSIE-UHFFFAOYSA-N
XLogP1.05
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43400349
4-chloro-N-(3-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65034448
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 9412029
4-chloro-N-(4-methylpentyl)-3-nitrobenzenesulfonamide
CID 61046724
3-[(4-chloro-3-nitrophenyl)sulfonylamino]propanoate
CID 7062896
4-chloro-N-(2-chloroethyl)-3-nitrobenzenesulfonamide
CID 61288897
[(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic acid
CID 22179300
4-chloro-N-(3-methylbutan-2-yl)-3-nitrobenzenesulfonamide
CID 43089665
2-[(4-chloro-3-nitrophenyl)sulfonylamino]ethyl-methylcarbamic acid
CID 139396861
ethyl 2-[(4-chloro-3-nitrophenyl)sulfonylamino]propanoate
CID 61499300
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664723
N-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide
CID 60630712

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide (CID 43397585) is 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is NFKHPJKGUANSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O5S/c1-7(2)14-11(16)6-13-21(19,20)8-3-4-9(12)10(5-8)15(17)18/h3-5,7,13H,6H2,1-2H3,(H,14,16).
What are the key properties of 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide?
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 335.77 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43397585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).