N,N-bis[(4-methoxyphenyl)methyl]ethenesulfonamide

C18H21NO4S — CID 58252245

IUPACN,N-bis[(4-methoxyphenyl)methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C18H21NO4S/c1-4-24(20,21)19(13-15-5-9-17(22-2)10-6-15)14-16-7-11-18(23-3)12-8-16/h4-12H,1,13-14H2,2-3H3
InChIKeyHNLYQUMQRLEARS-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.18
Rot. Bonds8

About N,N-bis[(4-methoxyphenyl)methyl]ethenesulfonamide

N,N-bis[(4-methoxyphenyl)methyl]ethenesulfonamide (PubChem CID 58252245) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]ethenesulfonamide.

Molecular Properties

Compound NameN,N-bis[(4-methoxyphenyl)methyl]ethenesulfonamide
PubChem CID58252245
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN,N-bis[(4-methoxyphenyl)methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C18H21NO4S/c1-4-24(20,21)19(13-15-5-9-17(22-2)10-6-15)14-16-7-11-18(23-3)12-8-16/h4-12H,1,13-14H2,2-3H3
InChIKeyHNLYQUMQRLEARS-UHFFFAOYSA-N
XLogP3.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]ethenesulfonamide?
The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]ethenesulfonamide (CID 58252245) is N,N-bis[(4-methoxyphenyl)methyl]ethenesulfonamide.
What is the SMILES notation for N,N-bis[(4-methoxyphenyl)methyl]ethenesulfonamide?
The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]ethenesulfonamide is C=CS(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.
What is the InChIKey of N,N-bis[(4-methoxyphenyl)methyl]ethenesulfonamide?
The InChIKey is HNLYQUMQRLEARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-4-24(20,21)19(13-15-5-9-17(22-2)10-6-15)14-16-7-11-18(23-3)12-8-16/h4-12H,1,13-14H2,2-3H3.
What are the key properties of N,N-bis[(4-methoxyphenyl)methyl]ethenesulfonamide?
N,N-bis[(4-methoxyphenyl)methyl]ethenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-methoxyphenyl)methyl]ethenesulfonamide is sourced from PubChem (CID 58252245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).