N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide

C15H24N2O3S — CID 62159061

IUPACN-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCCC2CCCO2)cc1
InChIInChI=1S/C15H24N2O3S/c1-2-10-16-13-5-7-15(8-6-13)21(18,19)17-11-9-14-4-3-12-20-14/h5-8,14,16-17H,2-4,9-12H2,1H3
InChIKeyANBKOKMKHOVKQA-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.36
Rot. Bonds8

About N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide

N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide (PubChem CID 62159061) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide
PubChem CID62159061
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCCC2CCCO2)cc1
InChIInChI=1S/C15H24N2O3S/c1-2-10-16-13-5-7-15(8-6-13)21(18,19)17-11-9-14-4-3-12-20-14/h5-8,14,16-17H,2-4,9-12H2,1H3
InChIKeyANBKOKMKHOVKQA-UHFFFAOYSA-N
XLogP2.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride
CID 114958224
ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate
CID 94814688
4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 60723752
N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide
CID 62146549
2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid
CID 61039961
N-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide
CID 51076373
4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990999
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide
CID 62825077
2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61125684
2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 51076370
4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61127442

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide (CID 62159061) is N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)NCCC2CCCO2)cc1.
What is the InChIKey of N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide?
The InChIKey is ANBKOKMKHOVKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-10-16-13-5-7-15(8-6-13)21(18,19)17-11-9-14-4-3-12-20-14/h5-8,14,16-17H,2-4,9-12H2,1H3.
What are the key properties of N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide?
N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 62159061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).