3,5-dichloro-N-[[4-(ethoxymethyl)phenyl]methyl]benzenesulfonamide

C16H17Cl2NO3S — CID 35616347

IUPAC3,5-dichloro-N-[[4-(ethoxymethyl)phenyl]methyl]benzenesulfonamide
SMILESCCOCc1ccc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2NO3S/c1-2-22-11-13-5-3-12(4-6-13)10-19-23(20,21)16-8-14(17)7-15(18)9-16/h3-9,19H,2,10-11H2,1H3
InChIKeyBBBQDSSLLXCKAF-UHFFFAOYSA-N
MW374.29 g/mol
LogP4.01
Rot. Bonds7

About 3,5-dichloro-N-[[4-(ethoxymethyl)phenyl]methyl]benzenesulfonamide

3,5-dichloro-N-[[4-(ethoxymethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 35616347) has the molecular formula C16H17Cl2NO3S and a molecular weight of 374.29 g/mol. Its IUPAC name is 3,5-dichloro-N-[[4-(ethoxymethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[4-(ethoxymethyl)phenyl]methyl]benzenesulfonamide
PubChem CID35616347
Molecular FormulaC16H17Cl2NO3S
Molecular Weight374.29 g/mol
Exact Mass373.03
IUPAC Name3,5-dichloro-N-[[4-(ethoxymethyl)phenyl]methyl]benzenesulfonamide
SMILESCCOCc1ccc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2NO3S/c1-2-22-11-13-5-3-12(4-6-13)10-19-23(20,21)16-8-14(17)7-15(18)9-16/h3-9,19H,2,10-11H2,1H3
InChIKeyBBBQDSSLLXCKAF-UHFFFAOYSA-N
XLogP4.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 39655236
3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide
CID 4657753
3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide
CID 3822716
3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63311681
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 2799391
3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665317
3,5-dichloro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753806
3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 2805810
N-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 3717692
N-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide
CID 63730553

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[4-(ethoxymethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[[4-(ethoxymethyl)phenyl]methyl]benzenesulfonamide (CID 35616347) is 3,5-dichloro-N-[[4-(ethoxymethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[[4-(ethoxymethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[[4-(ethoxymethyl)phenyl]methyl]benzenesulfonamide is CCOCc1ccc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 3,5-dichloro-N-[[4-(ethoxymethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is BBBQDSSLLXCKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO3S/c1-2-22-11-13-5-3-12(4-6-13)10-19-23(20,21)16-8-14(17)7-15(18)9-16/h3-9,19H,2,10-11H2,1H3.
What are the key properties of 3,5-dichloro-N-[[4-(ethoxymethyl)phenyl]methyl]benzenesulfonamide?
3,5-dichloro-N-[[4-(ethoxymethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 374.29 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[4-(ethoxymethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 35616347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).