5-chloro-2-methoxy-N-propylbenzenesulfonamide

C10H14ClNO3S — CID 2234484

IUPAC5-chloro-2-methoxy-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C10H14ClNO3S/c1-3-6-12-16(13,14)10-7-8(11)4-5-9(10)15-2/h4-5,7,12H,3,6H2,1-2H3
InChIKeyMFAARGHJJDNVHJ-UHFFFAOYSA-N
MW263.75 g/mol
LogP2.04
Rot. Bonds5

About 5-chloro-2-methoxy-N-propylbenzenesulfonamide

5-chloro-2-methoxy-N-propylbenzenesulfonamide (PubChem CID 2234484) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-propylbenzenesulfonamide
PubChem CID2234484
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name5-chloro-2-methoxy-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C10H14ClNO3S/c1-3-6-12-16(13,14)10-7-8(11)4-5-9(10)15-2/h4-5,7,12H,3,6H2,1-2H3
InChIKeyMFAARGHJJDNVHJ-UHFFFAOYSA-N
XLogP2.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716555
5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide
CID 110446678
4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 2243556
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 110287793
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
CID 70601990
CID 70601990
5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 113065075
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
5-chloro-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide
CID 110359396
N-(3-chlorophenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892378
N-(3,5-dichlorophenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892393

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-propylbenzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-propylbenzenesulfonamide (CID 2234484) is 5-chloro-2-methoxy-N-propylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-propylbenzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-2-methoxy-N-propylbenzenesulfonamide?
The InChIKey is MFAARGHJJDNVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-3-6-12-16(13,14)10-7-8(11)4-5-9(10)15-2/h4-5,7,12H,3,6H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-propylbenzenesulfonamide?
5-chloro-2-methoxy-N-propylbenzenesulfonamide has a molecular weight of 263.75 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-propylbenzenesulfonamide is sourced from PubChem (CID 2234484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).