4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide

C11H16ClNO4S — CID 2243556

IUPAC4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C11H16ClNO4S/c1-4-5-13-18(14,15)11-7-9(16-2)8(12)6-10(11)17-3/h6-7,13H,4-5H2,1-3H3
InChIKeyNOYCVLKDMIHWLZ-UHFFFAOYSA-N
MW293.77 g/mol
LogP2.05
Rot. Bonds6

About 4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide

4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide (PubChem CID 2243556) has the molecular formula C11H16ClNO4S and a molecular weight of 293.77 g/mol. Its IUPAC name is 4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide
PubChem CID2243556
Molecular FormulaC11H16ClNO4S
Molecular Weight293.77 g/mol
Exact Mass293.05
IUPAC Name4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C11H16ClNO4S/c1-4-5-13-18(14,15)11-7-9(16-2)8(12)6-10(11)17-3/h6-7,13H,4-5H2,1-3H3
InChIKeyNOYCVLKDMIHWLZ-UHFFFAOYSA-N
XLogP2.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
2-methoxy-5-nitro-N-propylbenzenesulfonamide
CID 43213176
5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716555
4-chloro-N-(cyclohexen-1-ylmethyl)-2,5-dimethoxybenzenesulfonamide
CID 25248835
4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2968373
3,4-dichloro-2-methoxy-N-propylbenzenesulfonamide
CID 6457529
5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 91669771
5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide
CID 15943823
N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35291236
5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide
CID 110757907
4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide
CID 2200633

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide (CID 2243556) is 4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide?
The InChIKey is NOYCVLKDMIHWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO4S/c1-4-5-13-18(14,15)11-7-9(16-2)8(12)6-10(11)17-3/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide?
4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide has a molecular weight of 293.77 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide is sourced from PubChem (CID 2243556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).