5-[ethyl(propan-2-yl)carbamoyl]-2-(methoxymethyl)benzenesulfonyl chloride

C14H20ClNO4S — CID 65370308

IUPAC5-[ethyl(propan-2-yl)carbamoyl]-2-(methoxymethyl)benzenesulfonyl chloride
SMILESCCN(C(=O)c1ccc(COC)c(S(=O)(=O)Cl)c1)C(C)C
InChIInChI=1S/C14H20ClNO4S/c1-5-16(10(2)3)14(17)11-6-7-12(9-20-4)13(8-11)21(15,18)19/h6-8,10H,5,9H2,1-4H3
InChIKeyCUMDBNWKIKQDTA-UHFFFAOYSA-N
MW333.84 g/mol
LogP2.63
Rot. Bonds6

About 5-[ethyl(propan-2-yl)carbamoyl]-2-(methoxymethyl)benzenesulfonyl chloride

5-[ethyl(propan-2-yl)carbamoyl]-2-(methoxymethyl)benzenesulfonyl chloride (PubChem CID 65370308) has the molecular formula C14H20ClNO4S and a molecular weight of 333.84 g/mol. Its IUPAC name is 5-[ethyl(propan-2-yl)carbamoyl]-2-(methoxymethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-[ethyl(propan-2-yl)carbamoyl]-2-(methoxymethyl)benzenesulfonyl chloride
PubChem CID65370308
Molecular FormulaC14H20ClNO4S
Molecular Weight333.84 g/mol
Exact Mass333.08
IUPAC Name5-[ethyl(propan-2-yl)carbamoyl]-2-(methoxymethyl)benzenesulfonyl chloride
SMILESCCN(C(=O)c1ccc(COC)c(S(=O)(=O)Cl)c1)C(C)C
InChIInChI=1S/C14H20ClNO4S/c1-5-16(10(2)3)14(17)11-6-7-12(9-20-4)13(8-11)21(15,18)19/h6-8,10H,5,9H2,1-4H3
InChIKeyCUMDBNWKIKQDTA-UHFFFAOYSA-N
XLogP2.63
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[ethyl(propan-2-yl)carbamoyl]-2-(methoxymethyl)benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(butan-2-ylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride
CID 65368758
1-methoxypropan-2-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate
CID 65374161
2-ethyl-5-[ethyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65372640
5-[ethyl(propan-2-yl)carbamoyl]-2-fluoro-3-methylbenzenesulfonyl chloride
CID 65371075
2-(methoxymethyl)-5-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65367566
butyl 3-chlorosulfonyl-4-(methoxymethyl)benzoate
CID 65395963
5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride
CID 65370930
2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride
CID 65368607
2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65397858
3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide
CID 43266072
2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride
CID 65369018
3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide
CID 43265294

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(propan-2-yl)carbamoyl]-2-(methoxymethyl)benzenesulfonyl chloride?
The IUPAC name of 5-[ethyl(propan-2-yl)carbamoyl]-2-(methoxymethyl)benzenesulfonyl chloride (CID 65370308) is 5-[ethyl(propan-2-yl)carbamoyl]-2-(methoxymethyl)benzenesulfonyl chloride.
What is the SMILES notation for 5-[ethyl(propan-2-yl)carbamoyl]-2-(methoxymethyl)benzenesulfonyl chloride?
The canonical SMILES for 5-[ethyl(propan-2-yl)carbamoyl]-2-(methoxymethyl)benzenesulfonyl chloride is CCN(C(=O)c1ccc(COC)c(S(=O)(=O)Cl)c1)C(C)C.
What is the InChIKey of 5-[ethyl(propan-2-yl)carbamoyl]-2-(methoxymethyl)benzenesulfonyl chloride?
The InChIKey is CUMDBNWKIKQDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4S/c1-5-16(10(2)3)14(17)11-6-7-12(9-20-4)13(8-11)21(15,18)19/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 5-[ethyl(propan-2-yl)carbamoyl]-2-(methoxymethyl)benzenesulfonyl chloride?
5-[ethyl(propan-2-yl)carbamoyl]-2-(methoxymethyl)benzenesulfonyl chloride has a molecular weight of 333.84 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(propan-2-yl)carbamoyl]-2-(methoxymethyl)benzenesulfonyl chloride is sourced from PubChem (CID 65370308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).