N-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide

C13H19ClN2O3S — CID 79585225

IUPACN-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)CC(C)CCl)cc1C
InChIInChI=1S/C13H19ClN2O3S/c1-9(7-14)8-20(18,19)16-12-4-5-13(10(2)6-12)15-11(3)17/h4-6,9,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyZGLZXFUJIVIZCQ-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.57
Rot. Bonds6

About N-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide

N-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide (PubChem CID 79585225) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide
PubChem CID79585225
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC NameN-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)CC(C)CCl)cc1C
InChIInChI=1S/C13H19ClN2O3S/c1-9(7-14)8-20(18,19)16-12-4-5-13(10(2)6-12)15-11(3)17/h4-6,9,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyZGLZXFUJIVIZCQ-UHFFFAOYSA-N
XLogP2.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3-fluoro-4-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79585638
4-[(3-chloro-2-methylpropyl)sulfonylamino]-3-methylbenzoic acid
CID 79586212
3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
CID 79585459
4-[(3-chloro-2-methylpropyl)sulfonylamino]-N-ethyl-3-methylbenzamide
CID 79557547
3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide
CID 79585905
3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpropane-1-sulfonamide
CID 79585941
N-[2-methyl-4-(2-methylpropylamino)phenyl]acetamide
CID 43672835
N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide
CID 43672867
3-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79583591
N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 79585550
2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide
CID 79556556
3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide
CID 79585540

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide?
The IUPAC name of N-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide (CID 79585225) is N-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide is CC(=O)Nc1ccc(NS(=O)(=O)CC(C)CCl)cc1C.
What is the InChIKey of N-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide?
The InChIKey is ZGLZXFUJIVIZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-9(7-14)8-20(18,19)16-12-4-5-13(10(2)6-12)15-11(3)17/h4-6,9,16H,7-8H2,1-3H3,(H,15,17).
What are the key properties of N-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide?
N-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide has a molecular weight of 318.83 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide is sourced from PubChem (CID 79585225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).