N-methyl-4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C16H26N2O3S — CID 110753645

IUPACN-methyl-4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N(C)CCN2CCCC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-14(2)21-15-6-8-16(9-7-15)22(19,20)17(3)12-13-18-10-4-5-11-18/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyGBEZFYPTGMZJES-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.19
Rot. Bonds7

About N-methyl-4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

N-methyl-4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 110753645) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-methyl-4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID110753645
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-methyl-4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N(C)CCN2CCCC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-14(2)21-15-6-8-16(9-7-15)22(19,20)17(3)12-13-18-10-4-5-11-18/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyGBEZFYPTGMZJES-UHFFFAOYSA-N
XLogP2.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110753644
4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63211293
N,N-dimethyl-2-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]ethanamine
CID 113073649
4-(2-aminoethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63208977
6-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 63209121
N-[4-[methyl(2-piperidin-1-ylethyl)sulfamoyl]phenyl]acetamide
CID 110753478
3-amino-4-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63207084
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110710626
4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 106919384
3-(aminomethyl)-4-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63288906
4-butoxy-N-(2-piperidin-1-ylethyl)-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711748
2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63207567

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-methyl-4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 110753645) is N-methyl-4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)N(C)CCN2CCCC2)cc1.
What is the InChIKey of N-methyl-4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is GBEZFYPTGMZJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-14(2)21-15-6-8-16(9-7-15)22(19,20)17(3)12-13-18-10-4-5-11-18/h6-9,14H,4-5,10-13H2,1-3H3.
What are the key properties of N-methyl-4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
N-methyl-4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110753645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).