2-[2-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-methylacetamide

C13H19ClN2O3S — CID 79585399

IUPAC2-[2-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NS(=O)(=O)CC(C)CCl
InChIInChI=1S/C13H19ClN2O3S/c1-10(8-14)9-20(18,19)16-12-6-4-3-5-11(12)7-13(17)15-2/h3-6,10,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyPKHRBKIJPDTRDS-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.59
Rot. Bonds7

About 2-[2-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-methylacetamide

2-[2-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-methylacetamide (PubChem CID 79585399) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-[2-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-methylacetamide
PubChem CID79585399
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-[2-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NS(=O)(=O)CC(C)CCl
InChIInChI=1S/C13H19ClN2O3S/c1-10(8-14)9-20(18,19)16-12-6-4-3-5-11(12)7-13(17)15-2/h3-6,10,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyPKHRBKIJPDTRDS-UHFFFAOYSA-N
XLogP1.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.59
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

2-[(3-chloro-2-methylpropyl)sulfonylamino]benzoic acid
CID 79585334
2-[2-(methanesulfonamido)phenyl]-N-methylacetamide
CID 61061403
3-chloro-2-methyl-N-(2-propan-2-ylphenyl)propane-1-sulfonamide
CID 79580372
N-methyl-2-[2-(sulfamoylamino)phenyl]acetamide
CID 112573434
methyl 3-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylbenzoate
CID 79585401
N-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide
CID 43692244
2-[(3-chloro-2-methylpropyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 79555531
3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpropane-1-sulfonamide
CID 79585941
2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide
CID 79556556
4-[(3-chloro-2-methylpropyl)sulfonylamino]-3-methylbenzoic acid
CID 79586212
3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
CID 79585459
4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 63307585

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[2-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-methylacetamide (CID 79585399) is 2-[2-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccccc1NS(=O)(=O)CC(C)CCl.
What is the InChIKey of 2-[2-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-methylacetamide?
The InChIKey is PKHRBKIJPDTRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-10(8-14)9-20(18,19)16-12-6-4-3-5-11(12)7-13(17)15-2/h3-6,10,16H,7-9H2,1-2H3,(H,15,17).
What are the key properties of 2-[2-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-methylacetamide?
2-[2-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-methylacetamide has a molecular weight of 318.83 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 79585399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).