4-[(3-chloro-2-methylpropyl)sulfonylamino]-N-ethyl-3-methylbenzamide

C14H21ClN2O3S — CID 79557547

IUPAC4-[(3-chloro-2-methylpropyl)sulfonylamino]-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(NS(=O)(=O)CC(C)CCl)c(C)c1
InChIInChI=1S/C14H21ClN2O3S/c1-4-16-14(18)12-5-6-13(11(3)7-12)17-21(19,20)9-10(2)8-15/h5-7,10,17H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyUWBVTHYJIFBNKM-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.36
Rot. Bonds7

About 4-[(3-chloro-2-methylpropyl)sulfonylamino]-N-ethyl-3-methylbenzamide

4-[(3-chloro-2-methylpropyl)sulfonylamino]-N-ethyl-3-methylbenzamide (PubChem CID 79557547) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 4-[(3-chloro-2-methylpropyl)sulfonylamino]-N-ethyl-3-methylbenzamide.

Molecular Properties

Compound Name4-[(3-chloro-2-methylpropyl)sulfonylamino]-N-ethyl-3-methylbenzamide
PubChem CID79557547
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name4-[(3-chloro-2-methylpropyl)sulfonylamino]-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(NS(=O)(=O)CC(C)CCl)c(C)c1
InChIInChI=1S/C14H21ClN2O3S/c1-4-16-14(18)12-5-6-13(11(3)7-12)17-21(19,20)9-10(2)8-15/h5-7,10,17H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyUWBVTHYJIFBNKM-UHFFFAOYSA-N
XLogP2.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.36
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

4-[(3-chloro-2-methylpropyl)sulfonylamino]-3-methylbenzoic acid
CID 79586212
4-(4-chlorobutylsulfonylamino)-N-ethyl-3-methylbenzamide
CID 116815851
N-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide
CID 79585225
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
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
4-[(3-chloro-2,2-dimethylpropanoyl)amino]-N-ethyl-3-methylbenzamide
CID 63681118
N-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide
CID 60935830
3-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79583591
N-ethyl-3-methyl-4-propan-2-ylbenzamide
CID 58969990
4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide
CID 54864939
methyl 2-[(3-chloro-2-methylpropyl)sulfonylamino]-5-fluorobenzoate
CID 79585945

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-methylpropyl)sulfonylamino]-N-ethyl-3-methylbenzamide?
The IUPAC name of 4-[(3-chloro-2-methylpropyl)sulfonylamino]-N-ethyl-3-methylbenzamide (CID 79557547) is 4-[(3-chloro-2-methylpropyl)sulfonylamino]-N-ethyl-3-methylbenzamide.
What is the SMILES notation for 4-[(3-chloro-2-methylpropyl)sulfonylamino]-N-ethyl-3-methylbenzamide?
The canonical SMILES for 4-[(3-chloro-2-methylpropyl)sulfonylamino]-N-ethyl-3-methylbenzamide is CCNC(=O)c1ccc(NS(=O)(=O)CC(C)CCl)c(C)c1.
What is the InChIKey of 4-[(3-chloro-2-methylpropyl)sulfonylamino]-N-ethyl-3-methylbenzamide?
The InChIKey is UWBVTHYJIFBNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-4-16-14(18)12-5-6-13(11(3)7-12)17-21(19,20)9-10(2)8-15/h5-7,10,17H,4,8-9H2,1-3H3,(H,16,18).
What are the key properties of 4-[(3-chloro-2-methylpropyl)sulfonylamino]-N-ethyl-3-methylbenzamide?
4-[(3-chloro-2-methylpropyl)sulfonylamino]-N-ethyl-3-methylbenzamide has a molecular weight of 332.85 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-methylpropyl)sulfonylamino]-N-ethyl-3-methylbenzamide is sourced from PubChem (CID 79557547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).