2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride

C14H20ClNO4S — CID 65397858

IUPAC2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCCc1ccc(C(=O)NC(C)CCOC)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H20ClNO4S/c1-4-11-5-6-12(9-13(11)21(15,18)19)14(17)16-10(2)7-8-20-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyRYIRBVILHQEURG-UHFFFAOYSA-N
MW333.84 g/mol
LogP2.33
Rot. Bonds7

About 2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride

2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65397858) has the molecular formula C14H20ClNO4S and a molecular weight of 333.84 g/mol. Its IUPAC name is 2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride
PubChem CID65397858
Molecular FormulaC14H20ClNO4S
Molecular Weight333.84 g/mol
Exact Mass333.08
IUPAC Name2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCCc1ccc(C(=O)NC(C)CCOC)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H20ClNO4S/c1-4-11-5-6-12(9-13(11)21(15,18)19)14(17)16-10(2)7-8-20-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyRYIRBVILHQEURG-UHFFFAOYSA-N
XLogP2.33
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxybutan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65396135
5-(butan-2-ylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride
CID 65368758
2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride
CID 65368607
2-methoxy-5-(pentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368816
2-ethyl-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride
CID 65397363
4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 65380192
4-methoxy-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 65381397
5-(heptan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65371017
4-(ethylamino)-N-(4-methoxybutan-2-yl)-3-methylbenzamide
CID 64605746
2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65398326
5-(2,2-dimethylbutylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 103465603
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride (CID 65397858) is 2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride is CCc1ccc(C(=O)NC(C)CCOC)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is RYIRBVILHQEURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4S/c1-4-11-5-6-12(9-13(11)21(15,18)19)14(17)16-10(2)7-8-20-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride?
2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 333.84 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65397858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).