3-ethyl-5-methyl-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride

C14H20ClNO4S — CID 115949334

IUPAC3-ethyl-5-methyl-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride
SMILESCCc1cc(S(=O)(=O)Cl)cc(C)c1NC(=O)COC(C)C
InChIInChI=1S/C14H20ClNO4S/c1-5-11-7-12(21(15,18)19)6-10(4)14(11)16-13(17)8-20-9(2)3/h6-7,9H,5,8H2,1-4H3,(H,16,17)
InChIKeyVXBPHNFEYJRPDN-UHFFFAOYSA-N
MW333.84 g/mol
LogP2.85
Rot. Bonds6

About 3-ethyl-5-methyl-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride

3-ethyl-5-methyl-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride (PubChem CID 115949334) has the molecular formula C14H20ClNO4S and a molecular weight of 333.84 g/mol. Its IUPAC name is 3-ethyl-5-methyl-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-ethyl-5-methyl-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride
PubChem CID115949334
Molecular FormulaC14H20ClNO4S
Molecular Weight333.84 g/mol
Exact Mass333.08
IUPAC Name3-ethyl-5-methyl-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride
SMILESCCc1cc(S(=O)(=O)Cl)cc(C)c1NC(=O)COC(C)C
InChIInChI=1S/C14H20ClNO4S/c1-5-11-7-12(21(15,18)19)6-10(4)14(11)16-13(17)8-20-9(2)3/h6-7,9H,5,8H2,1-4H3,(H,16,17)
InChIKeyVXBPHNFEYJRPDN-UHFFFAOYSA-N
XLogP2.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethyl-4-sulfamoylphenyl)-2-propan-2-yloxyacetamide
CID 113355675
4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride
CID 43097969
4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride
CID 43098447
3,5-dimethyl-4-(pentanoylamino)benzenesulfonyl chloride
CID 18070783
3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride
CID 43103561
3-ethyl-5-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216262
2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide
CID 112604411
2-methoxy-5-methyl-3-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride
CID 115949346
N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide
CID 47413216
2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride
CID 112602478
2-ethyl-N-(2-ethyl-6-methyl-4-sulfamoylphenyl)butanamide
CID 43133984
N-(6-amino-2,3-dimethylphenyl)-2-propan-2-yloxyacetamide
CID 112601814

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride?
The IUPAC name of 3-ethyl-5-methyl-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride (CID 115949334) is 3-ethyl-5-methyl-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 3-ethyl-5-methyl-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 3-ethyl-5-methyl-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride is CCc1cc(S(=O)(=O)Cl)cc(C)c1NC(=O)COC(C)C.
What is the InChIKey of 3-ethyl-5-methyl-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride?
The InChIKey is VXBPHNFEYJRPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4S/c1-5-11-7-12(21(15,18)19)6-10(4)14(11)16-13(17)8-20-9(2)3/h6-7,9H,5,8H2,1-4H3,(H,16,17).
What are the key properties of 3-ethyl-5-methyl-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride?
3-ethyl-5-methyl-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride has a molecular weight of 333.84 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 115949334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).