3-[(4-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-oxobutanamide

C14H17ClN2O4S — CID 139329120

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-oxobutanamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)C(=O)NCC1CC1
InChIInChI=1S/C14H17ClN2O4S/c1-9(13(18)14(19)16-8-10-2-3-10)17-22(20,21)12-6-4-11(15)5-7-12/h4-7,9-10,17H,2-3,8H2,1H3,(H,16,19)
InChIKeyYYBNZTZMYBNQEK-UHFFFAOYSA-N
MW344.82 g/mol
LogP1.10
Rot. Bonds7

About 3-[(4-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-oxobutanamide

3-[(4-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-oxobutanamide (PubChem CID 139329120) has the molecular formula C14H17ClN2O4S and a molecular weight of 344.82 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-oxobutanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-oxobutanamide
PubChem CID139329120
Molecular FormulaC14H17ClN2O4S
Molecular Weight344.82 g/mol
Exact Mass344.06
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-oxobutanamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)C(=O)NCC1CC1
InChIInChI=1S/C14H17ClN2O4S/c1-9(13(18)14(19)16-8-10-2-3-10)17-22(20,21)12-6-4-11(15)5-7-12/h4-7,9-10,17H,2-3,8H2,1H3,(H,16,19)
InChIKeyYYBNZTZMYBNQEK-UHFFFAOYSA-N
XLogP1.10
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-oxobutanamide
CID 134349587
[2-(methylamino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841754
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 51122843
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841956
N-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 154872445
3-[2-[(4-chlorophenyl)sulfonylamino]propanoylamino]-2-methylpropanoic acid
CID 119237146
2-[(4-chlorophenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide
CID 119557382
N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 119485391
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841947
[2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841962
(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid
CID 51715390

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-oxobutanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-oxobutanamide (CID 139329120) is 3-[(4-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-oxobutanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-oxobutanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-oxobutanamide is CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)C(=O)NCC1CC1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-oxobutanamide?
The InChIKey is YYBNZTZMYBNQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4S/c1-9(13(18)14(19)16-8-10-2-3-10)17-22(20,21)12-6-4-11(15)5-7-12/h4-7,9-10,17H,2-3,8H2,1H3,(H,16,19).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-oxobutanamide?
3-[(4-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-oxobutanamide has a molecular weight of 344.82 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-oxobutanamide is sourced from PubChem (CID 139329120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).