2-[4-chlorobutylsulfonyl(methyl)amino]-N-propan-2-ylacetamide

C10H21ClN2O3S — CID 116815240

IUPAC2-[4-chlorobutylsulfonyl(methyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)CCCCCl
InChIInChI=1S/C10H21ClN2O3S/c1-9(2)12-10(14)8-13(3)17(15,16)7-5-4-6-11/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyHVLSOVMERQYIGT-UHFFFAOYSA-N
MW284.81 g/mol
LogP0.79
Rot. Bonds8

About 2-[4-chlorobutylsulfonyl(methyl)amino]-N-propan-2-ylacetamide

2-[4-chlorobutylsulfonyl(methyl)amino]-N-propan-2-ylacetamide (PubChem CID 116815240) has the molecular formula C10H21ClN2O3S and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-[4-chlorobutylsulfonyl(methyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-chlorobutylsulfonyl(methyl)amino]-N-propan-2-ylacetamide
PubChem CID116815240
Molecular FormulaC10H21ClN2O3S
Molecular Weight284.81 g/mol
Exact Mass284.10
IUPAC Name2-[4-chlorobutylsulfonyl(methyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)CCCCCl
InChIInChI=1S/C10H21ClN2O3S/c1-9(2)12-10(14)8-13(3)17(15,16)7-5-4-6-11/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyHVLSOVMERQYIGT-UHFFFAOYSA-N
XLogP0.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-2-nitrosobutanamide
CID 44279467
2-[3-chloropropylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54877231
2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 79585653
2-[4-chlorobutylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 113567757
4-(3-Chloropropylsulfonyl)piperazin-2-one
CID 43653949
2-(3-chloropropylsulfonylamino)-N-ethylacetamide
CID 43653821
2-(3-chloropropylsulfonylamino)-N-methylacetamide
CID 43653839
2-[3-chloropropylsulfonyl(methyl)amino]-N-methylacetamide
CID 43653848
2-(3-chloropropylsulfonylamino)-N-cyclopropylacetamide
CID 43653870
2-(3-chloropropylsulfonylamino)-N-propan-2-ylacetamide
CID 43653871
2-(3-chloropropylsulfonylamino)-N-propylacetamide
CID 43653880
2-[3-chloropropylsulfonyl(methyl)amino]-N-cyclopropylacetamide
CID 43653889

Frequently Asked Questions

What is the IUPAC name of 2-[4-chlorobutylsulfonyl(methyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-chlorobutylsulfonyl(methyl)amino]-N-propan-2-ylacetamide (CID 116815240) is 2-[4-chlorobutylsulfonyl(methyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-chlorobutylsulfonyl(methyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-chlorobutylsulfonyl(methyl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)S(=O)(=O)CCCCCl.
What is the InChIKey of 2-[4-chlorobutylsulfonyl(methyl)amino]-N-propan-2-ylacetamide?
The InChIKey is HVLSOVMERQYIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O3S/c1-9(2)12-10(14)8-13(3)17(15,16)7-5-4-6-11/h9H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 2-[4-chlorobutylsulfonyl(methyl)amino]-N-propan-2-ylacetamide?
2-[4-chlorobutylsulfonyl(methyl)amino]-N-propan-2-ylacetamide has a molecular weight of 284.81 g/mol, XLogP of 0.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chlorobutylsulfonyl(methyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 116815240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).