N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide

C15H23NO3S — CID 60873070

IUPACN-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)N(C)C(C)C2CC2)c1
InChIInChI=1S/C15H23NO3S/c1-4-15(17)13-6-5-7-14(10-13)20(18,19)16(3)11(2)12-8-9-12/h5-7,10-12,15,17H,4,8-9H2,1-3H3
InChIKeyZLCVGHHOZVEPAG-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.55
Rot. Bonds6

About N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide

N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide (PubChem CID 60873070) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide
PubChem CID60873070
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)N(C)C(C)C2CC2)c1
InChIInChI=1S/C15H23NO3S/c1-4-15(17)13-6-5-7-14(10-13)20(18,19)16(3)11(2)12-8-9-12/h5-7,10-12,15,17H,4,8-9H2,1-3H3
InChIKeyZLCVGHHOZVEPAG-UHFFFAOYSA-N
XLogP2.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide
CID 61444156
3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63858508
N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
CID 60824918
2-[[3-(1-hydroxypropyl)phenyl]sulfonyl-methylamino]-N,N-dimethylacetamide
CID 60873816
3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60874374
3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide
CID 60872474
3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61455972
3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107414903
N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide
CID 60872266
4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide
CID 54920579
4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791377
N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide
CID 95588566

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide (CID 60873070) is N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide is CCC(O)c1cccc(S(=O)(=O)N(C)C(C)C2CC2)c1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide?
The InChIKey is ZLCVGHHOZVEPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-15(17)13-6-5-7-14(10-13)20(18,19)16(3)11(2)12-8-9-12/h5-7,10-12,15,17H,4,8-9H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide?
N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 60873070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).