N-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanesulfonamide

C15H14ClNO4S — CID 110752759

IUPACN-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanesulfonamide
SMILESCN(c1ccc2c(c1)OCO2)S(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO4S/c1-17(13-6-7-14-15(8-13)21-10-20-14)22(18,19)9-11-2-4-12(16)5-3-11/h2-8H,9-10H2,1H3
InChIKeyQEBMIXQJARBCRD-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.03
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanesulfonamide

N-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanesulfonamide (PubChem CID 110752759) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanesulfonamide
PubChem CID110752759
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanesulfonamide
SMILESCN(c1ccc2c(c1)OCO2)S(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO4S/c1-17(13-6-7-14-15(8-13)21-10-20-14)22(18,19)9-11-2-4-12(16)5-3-11/h2-8H,9-10H2,1H3
InChIKeyQEBMIXQJARBCRD-UHFFFAOYSA-N
XLogP3.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide
CID 95969443
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanesulfonamide
CID 110752878
N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzenesulfonamide
CID 825686
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chlorophenyl)acetamide
CID 6488401
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113062967
N-(1,3-benzodioxol-5-yl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1148607
N-(1,3-benzodioxol-5-yl)-4-chloro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46022171
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylbenzenesulfonamide
CID 30173939
3-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 31988959
N-(1,3-benzodioxol-5-yl)-N,2,4-trimethylbenzenesulfonamide
CID 110752738
N-(1,3-benzodioxol-5-yl)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
CID 30850142
2-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132631661

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanesulfonamide (CID 110752759) is N-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanesulfonamide is CN(c1ccc2c(c1)OCO2)S(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanesulfonamide?
The InChIKey is QEBMIXQJARBCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-17(13-6-7-14-15(8-13)21-10-20-14)22(18,19)9-11-2-4-12(16)5-3-11/h2-8H,9-10H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanesulfonamide?
N-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanesulfonamide has a molecular weight of 339.80 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 110752759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).