N-cyclopentyl-N-cyclopropyl-4-methoxy-3,5-dimethylbenzenesulfonamide

C17H25NO3S — CID 112823173

IUPACN-cyclopentyl-N-cyclopropyl-4-methoxy-3,5-dimethylbenzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)N(C2CCCC2)C2CC2)cc1C
InChIInChI=1S/C17H25NO3S/c1-12-10-16(11-13(2)17(12)21-3)22(19,20)18(15-8-9-15)14-6-4-5-7-14/h10-11,14-15H,4-9H2,1-3H3
InChIKeyUALQFHGYDHKFAX-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.41
Rot. Bonds5

About N-cyclopentyl-N-cyclopropyl-4-methoxy-3,5-dimethylbenzenesulfonamide

N-cyclopentyl-N-cyclopropyl-4-methoxy-3,5-dimethylbenzenesulfonamide (PubChem CID 112823173) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-cyclopentyl-N-cyclopropyl-4-methoxy-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-cyclopropyl-4-methoxy-3,5-dimethylbenzenesulfonamide
PubChem CID112823173
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC NameN-cyclopentyl-N-cyclopropyl-4-methoxy-3,5-dimethylbenzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)N(C2CCCC2)C2CC2)cc1C
InChIInChI=1S/C17H25NO3S/c1-12-10-16(11-13(2)17(12)21-3)22(19,20)18(15-8-9-15)14-6-4-5-7-14/h10-11,14-15H,4-9H2,1-3H3
InChIKeyUALQFHGYDHKFAX-UHFFFAOYSA-N
XLogP3.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-cyclopropyl-4-methoxy-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-cyclopentyl-N-cyclopropyl-4-methoxy-3,5-dimethylbenzenesulfonamide (CID 112823173) is N-cyclopentyl-N-cyclopropyl-4-methoxy-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-N-cyclopropyl-4-methoxy-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-N-cyclopropyl-4-methoxy-3,5-dimethylbenzenesulfonamide is COc1c(C)cc(S(=O)(=O)N(C2CCCC2)C2CC2)cc1C.
What is the InChIKey of N-cyclopentyl-N-cyclopropyl-4-methoxy-3,5-dimethylbenzenesulfonamide?
The InChIKey is UALQFHGYDHKFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-12-10-16(11-13(2)17(12)21-3)22(19,20)18(15-8-9-15)14-6-4-5-7-14/h10-11,14-15H,4-9H2,1-3H3.
What are the key properties of N-cyclopentyl-N-cyclopropyl-4-methoxy-3,5-dimethylbenzenesulfonamide?
N-cyclopentyl-N-cyclopropyl-4-methoxy-3,5-dimethylbenzenesulfonamide has a molecular weight of 323.46 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-cyclopropyl-4-methoxy-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 112823173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).