5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide

C13H20ClNO3S — CID 15943823

IUPAC5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(Cl)c(C)cc1OCCC
InChIInChI=1S/C13H20ClNO3S/c1-4-6-15-19(16,17)13-9-11(14)10(3)8-12(13)18-7-5-2/h8-9,15H,4-7H2,1-3H3
InChIKeyBFJBMCIRTWGNKY-UHFFFAOYSA-N
MW305.83 g/mol
LogP3.13
Rot. Bonds7

About 5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide

5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide (PubChem CID 15943823) has the molecular formula C13H20ClNO3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide
PubChem CID15943823
Molecular FormulaC13H20ClNO3S
Molecular Weight305.83 g/mol
Exact Mass305.09
IUPAC Name5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(Cl)c(C)cc1OCCC
InChIInChI=1S/C13H20ClNO3S/c1-4-6-15-19(16,17)13-9-11(14)10(3)8-12(13)18-7-5-2/h8-9,15H,4-7H2,1-3H3
InChIKeyBFJBMCIRTWGNKY-UHFFFAOYSA-N
XLogP3.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide
CID 7314568
5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide
CID 124680601
N-[(2R)-butan-2-yl]-5-chloro-4-methyl-2-pentoxybenzenesulfonamide
CID 42065856
2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40793368
5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 91669771
2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide
CID 3830031
4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 2243556
5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide
CID 110757907
N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide
CID 15943814
2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide
CID 59079350
N-[(2-chlorophenyl)methyl]-4-methyl-5-propan-2-yl-2-propoxybenzenesulfonamide
CID 146095953
(2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 40793380

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide?
The IUPAC name of 5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide (CID 15943823) is 5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide?
The canonical SMILES for 5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1cc(Cl)c(C)cc1OCCC.
What is the InChIKey of 5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide?
The InChIKey is BFJBMCIRTWGNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3S/c1-4-6-15-19(16,17)13-9-11(14)10(3)8-12(13)18-7-5-2/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide?
5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide has a molecular weight of 305.83 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide is sourced from PubChem (CID 15943823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).