4-(2-chloro-6-methoxyphenyl)-3-propan-2-yl-N-propylbenzenesulfonamide

C19H24ClNO3S — CID 166940341

IUPAC4-(2-chloro-6-methoxyphenyl)-3-propan-2-yl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(-c2c(Cl)cccc2OC)c(C(C)C)c1
InChIInChI=1S/C19H24ClNO3S/c1-5-11-21-25(22,23)14-9-10-15(16(12-14)13(2)3)19-17(20)7-6-8-18(19)24-4/h6-10,12-13,21H,5,11H2,1-4H3
InChIKeyPNUSUDWNETVLHU-UHFFFAOYSA-N
MW381.93 g/mol
LogP4.83
Rot. Bonds7

About 4-(2-chloro-6-methoxyphenyl)-3-propan-2-yl-N-propylbenzenesulfonamide

4-(2-chloro-6-methoxyphenyl)-3-propan-2-yl-N-propylbenzenesulfonamide (PubChem CID 166940341) has the molecular formula C19H24ClNO3S and a molecular weight of 381.93 g/mol. Its IUPAC name is 4-(2-chloro-6-methoxyphenyl)-3-propan-2-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloro-6-methoxyphenyl)-3-propan-2-yl-N-propylbenzenesulfonamide
PubChem CID166940341
Molecular FormulaC19H24ClNO3S
Molecular Weight381.93 g/mol
Exact Mass381.12
IUPAC Name4-(2-chloro-6-methoxyphenyl)-3-propan-2-yl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(-c2c(Cl)cccc2OC)c(C(C)C)c1
InChIInChI=1S/C19H24ClNO3S/c1-5-11-21-25(22,23)14-9-10-15(16(12-14)13(2)3)19-17(20)7-6-8-18(19)24-4/h6-10,12-13,21H,5,11H2,1-4H3
InChIKeyPNUSUDWNETVLHU-UHFFFAOYSA-N
XLogP4.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(2-fluoro-6-methoxyphenyl)-N-propylbenzenesulfonamide
CID 166940333
3-chloro-N-(2-chloroethyl)-4-(2,6-dimethoxyphenyl)benzenesulfonamide
CID 162435606
4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide
CID 9173546
4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide
CID 9172687
4-butoxy-N-(2-hydroxyethyl)-3-propan-2-ylbenzenesulfonamide
CID 50876538
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 55362076
N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113082089
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
4-chloro-N-(2-hydroxypropyl)-3-methoxybenzenesulfonamide
CID 50876549
N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 53285290
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide
CID 90623899

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methoxyphenyl)-3-propan-2-yl-N-propylbenzenesulfonamide?
The IUPAC name of 4-(2-chloro-6-methoxyphenyl)-3-propan-2-yl-N-propylbenzenesulfonamide (CID 166940341) is 4-(2-chloro-6-methoxyphenyl)-3-propan-2-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-(2-chloro-6-methoxyphenyl)-3-propan-2-yl-N-propylbenzenesulfonamide?
The canonical SMILES for 4-(2-chloro-6-methoxyphenyl)-3-propan-2-yl-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(-c2c(Cl)cccc2OC)c(C(C)C)c1.
What is the InChIKey of 4-(2-chloro-6-methoxyphenyl)-3-propan-2-yl-N-propylbenzenesulfonamide?
The InChIKey is PNUSUDWNETVLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO3S/c1-5-11-21-25(22,23)14-9-10-15(16(12-14)13(2)3)19-17(20)7-6-8-18(19)24-4/h6-10,12-13,21H,5,11H2,1-4H3.
What are the key properties of 4-(2-chloro-6-methoxyphenyl)-3-propan-2-yl-N-propylbenzenesulfonamide?
4-(2-chloro-6-methoxyphenyl)-3-propan-2-yl-N-propylbenzenesulfonamide has a molecular weight of 381.93 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methoxyphenyl)-3-propan-2-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 166940341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).