3,4-dichloro-2-methoxy-N-propylbenzenesulfonamide

C10H13Cl2NO3S — CID 6457529

IUPAC3,4-dichloro-2-methoxy-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1OC
InChIInChI=1S/C10H13Cl2NO3S/c1-3-6-13-17(14,15)8-5-4-7(11)9(12)10(8)16-2/h4-5,13H,3,6H2,1-2H3
InChIKeyFJXBFWKIWQQEGY-UHFFFAOYSA-N
MW298.19 g/mol
LogP2.69
Rot. Bonds5

About 3,4-dichloro-2-methoxy-N-propylbenzenesulfonamide

3,4-dichloro-2-methoxy-N-propylbenzenesulfonamide (PubChem CID 6457529) has the molecular formula C10H13Cl2NO3S and a molecular weight of 298.19 g/mol. Its IUPAC name is 3,4-dichloro-2-methoxy-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-2-methoxy-N-propylbenzenesulfonamide
PubChem CID6457529
Molecular FormulaC10H13Cl2NO3S
Molecular Weight298.19 g/mol
Exact Mass297.00
IUPAC Name3,4-dichloro-2-methoxy-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1OC
InChIInChI=1S/C10H13Cl2NO3S/c1-3-6-13-17(14,15)8-5-4-7(11)9(12)10(8)16-2/h4-5,13H,3,6H2,1-2H3
InChIKeyFJXBFWKIWQQEGY-UHFFFAOYSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 39847484
3,4-dichloro-N-(2,6-diethylphenyl)-2-methoxybenzenesulfonamide
CID 139014537
3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 6463677
4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 2243556
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 34959830
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
N-[(1R)-1-(1-adamantyl)propyl]-3,4-dichloro-2-methoxybenzenesulfonamide
CID 40844786
N-butyl-2-chloro-4-methoxybenzenesulfonamide
CID 110758761
2,3,4-trichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 2729546
3,4-dichloro-2-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 1258403
2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide
CID 106019442

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-methoxy-N-propylbenzenesulfonamide?
The IUPAC name of 3,4-dichloro-2-methoxy-N-propylbenzenesulfonamide (CID 6457529) is 3,4-dichloro-2-methoxy-N-propylbenzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-2-methoxy-N-propylbenzenesulfonamide?
The canonical SMILES for 3,4-dichloro-2-methoxy-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1OC.
What is the InChIKey of 3,4-dichloro-2-methoxy-N-propylbenzenesulfonamide?
The InChIKey is FJXBFWKIWQQEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO3S/c1-3-6-13-17(14,15)8-5-4-7(11)9(12)10(8)16-2/h4-5,13H,3,6H2,1-2H3.
What are the key properties of 3,4-dichloro-2-methoxy-N-propylbenzenesulfonamide?
3,4-dichloro-2-methoxy-N-propylbenzenesulfonamide has a molecular weight of 298.19 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-methoxy-N-propylbenzenesulfonamide is sourced from PubChem (CID 6457529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).