N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-methoxybenzenesulfonamide

C16H16ClNO5S — CID 110601266

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H16ClNO5S/c1-21-14-5-3-12(17)9-16(14)24(19,20)18-7-6-11-2-4-13-15(8-11)23-10-22-13/h2-5,8-9,18H,6-7,10H2,1H3
InChIKeyYGQVLYBCFZDLGG-UHFFFAOYSA-N
MW369.83 g/mol
LogP2.60
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-methoxybenzenesulfonamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-methoxybenzenesulfonamide (PubChem CID 110601266) has the molecular formula C16H16ClNO5S and a molecular weight of 369.83 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-methoxybenzenesulfonamide
PubChem CID110601266
Molecular FormulaC16H16ClNO5S
Molecular Weight369.83 g/mol
Exact Mass369.04
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H16ClNO5S/c1-21-14-5-3-12(17)9-16(14)24(19,20)18-7-6-11-2-4-13-15(8-11)23-10-22-13/h2-5,8-9,18H,6-7,10H2,1H3
InChIKeyYGQVLYBCFZDLGG-UHFFFAOYSA-N
XLogP2.60
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110601258
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3,5-dichloro-2-hydroxybenzenesulfonamide
CID 4524167
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3,5-dichlorobenzenesulfonamide
CID 18197812
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 35327742
N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanamide
CID 6493576
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide
CID 51169759
1-N,3-N-bis(1,3-benzodioxol-5-ylmethyl)-4,6-dimethoxybenzene-1,3-disulfonamide
CID 43845502
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 30366359
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
5-chloro-2-methoxy-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 16890316
5-chloro-2-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789299
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-methoxybenzoic acid
CID 45413467

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-methoxybenzenesulfonamide (CID 110601266) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-methoxybenzenesulfonamide?
The InChIKey is YGQVLYBCFZDLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO5S/c1-21-14-5-3-12(17)9-16(14)24(19,20)18-7-6-11-2-4-13-15(8-11)23-10-22-13/h2-5,8-9,18H,6-7,10H2,1H3.
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-methoxybenzenesulfonamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-methoxybenzenesulfonamide has a molecular weight of 369.83 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 110601266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).