5-chloro-2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

C14H20ClNO4S — CID 2978804

IUPAC5-chloro-2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C14H20ClNO4S/c1-3-19-13-7-10(2)12(15)8-14(13)21(17,18)16-9-11-5-4-6-20-11/h7-8,11,16H,3-6,9H2,1-2H3
InChIKeySWWZUAFCOAZNCZ-UHFFFAOYSA-N
MW333.84 g/mol
LogP2.50
Rot. Bonds6

About 5-chloro-2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

5-chloro-2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 2978804) has the molecular formula C14H20ClNO4S and a molecular weight of 333.84 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID2978804
Molecular FormulaC14H20ClNO4S
Molecular Weight333.84 g/mol
Exact Mass333.08
IUPAC Name5-chloro-2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C14H20ClNO4S/c1-3-19-13-7-10(2)12(15)8-14(13)21(17,18)16-9-11-5-4-6-20-11/h7-8,11,16H,3-6,9H2,1-2H3
InChIKeySWWZUAFCOAZNCZ-UHFFFAOYSA-N
XLogP2.50
TPSA64.63 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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Chloro-2-ethoxy-4-methylbenzenesulfonyl)pyrrolidine
CID 850056
5-chloro-2-ethoxy-4-methyl-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 1252672
5-chloro-2-methoxy-4-methyl-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 1256412
5-chloro-2-ethoxy-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 1818630
5-chloro-2-ethoxy-N,N,4-trimethylbenzenesulfonamide
CID 2237427
5-Chloro-2-methoxy-4-methylbenzene-1-sulfonamide
CID 22467213
1-(5-Chloro-2-methoxy-4-methylbenzenesulfonyl)pyrrolidine
CID 850046
5-chloro-2-ethoxy-N,N-diethyl-4-methylbenzenesulfonamide
CID 850051
5-chloro-N,N-diethyl-4-methyl-2-propoxybenzenesulfonamide
CID 1818631
5-chloro-2-methoxy-4-methyl-N-[3-(4-morpholinyl)propyl]benzenesulfonamide
CID 2239372
5-chloro-2-methoxy-4-methyl-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 2966811
1-(5-Chloro-2-ethoxy-4-methylbenzenesulfonyl)-2-ethylpiperidine
CID 20105655

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 2978804) is 5-chloro-2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCC1CCCO1.
What is the InChIKey of 5-chloro-2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is SWWZUAFCOAZNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4S/c1-3-19-13-7-10(2)12(15)8-14(13)21(17,18)16-9-11-5-4-6-20-11/h7-8,11,16H,3-6,9H2,1-2H3.
What are the key properties of 5-chloro-2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
5-chloro-2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 333.84 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2978804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).