2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide

C14H21ClN2O3S — CID 79556556

IUPAC2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccc(NS(=O)(=O)CC(C)CCl)cc1
InChIInChI=1S/C14H21ClN2O3S/c1-3-16-14(18)8-12-4-6-13(7-5-12)17-21(19,20)10-11(2)9-15/h4-7,11,17H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyGWBITLPXJFHPOA-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.98
Rot. Bonds8

About 2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide

2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide (PubChem CID 79556556) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide
PubChem CID79556556
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccc(NS(=O)(=O)CC(C)CCl)cc1
InChIInChI=1S/C14H21ClN2O3S/c1-3-16-14(18)8-12-4-6-13(7-5-12)17-21(19,20)10-11(2)9-15/h4-7,11,17H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyGWBITLPXJFHPOA-UHFFFAOYSA-N
XLogP1.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.98
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-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
CID 79585459
3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide
CID 79585956
3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide
CID 79585905
N-ethyl-2-[4-(methanesulfonamido)phenyl]acetamide
CID 60747826
2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide
CID 79586204
4-[(3-chloro-2-methylpropyl)sulfonylamino]-N-ethyl-3-methylbenzamide
CID 79557547
3-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]propane-1-sulfonamide
CID 79580115
N-[4-(chloromethyl)phenyl]-2-methylpropane-1-sulfonamide
CID 65031169
N-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide
CID 79585225
N-(3-butan-2-yloxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 79585080
3-chloro-2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]propane-1-sulfonamide
CID 79585858
N-ethyl-2-[4-(3-methylbutylamino)phenyl]acetamide
CID 43737544

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide?
The IUPAC name of 2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide (CID 79556556) is 2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide is CCNC(=O)Cc1ccc(NS(=O)(=O)CC(C)CCl)cc1.
What is the InChIKey of 2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide?
The InChIKey is GWBITLPXJFHPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-3-16-14(18)8-12-4-6-13(7-5-12)17-21(19,20)10-11(2)9-15/h4-7,11,17H,3,8-10H2,1-2H3,(H,16,18).
What are the key properties of 2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide?
2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide has a molecular weight of 332.85 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide is sourced from PubChem (CID 79556556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).