N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide

C13H19NO3S — CID 95748590

IUPACN-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC2CC2)cc1
InChIInChI=1S/C13H19NO3S/c1-3-17-12-6-8-13(9-7-12)18(15,16)14(2)10-11-4-5-11/h6-9,11H,3-5,10H2,1-2H3
InChIKeyHTRRIVXBINPBJI-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.12
Rot. Bonds6

About N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide

N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide (PubChem CID 95748590) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide
PubChem CID95748590
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC2CC2)cc1
InChIInChI=1S/C13H19NO3S/c1-3-17-12-6-8-13(9-7-12)18(15,16)14(2)10-11-4-5-11/h6-9,11H,3-5,10H2,1-2H3
InChIKeyHTRRIVXBINPBJI-UHFFFAOYSA-N
XLogP2.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
CID 47291841
4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110752470
N-(cyclopropylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 60985675
4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110753644
N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 54884270
4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 87032847
N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 107173129
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide
CID 45373085
N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 36521100
N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 55248102
N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 51204434
5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide
CID 62856750

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide (CID 95748590) is N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)CC2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide?
The InChIKey is HTRRIVXBINPBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-3-17-12-6-8-13(9-7-12)18(15,16)14(2)10-11-4-5-11/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide?
N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 95748590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).