N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide

C14H22N2O3S — CID 62825077

IUPACN-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCC2CCOC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-8-15-13-3-5-14(6-4-13)20(17,18)16-10-12-7-9-19-11-12/h3-6,12,15-16H,2,7-11H2,1H3
InChIKeyOUEYSEWFJVJTDM-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.82
Rot. Bonds7

About N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide

N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide (PubChem CID 62825077) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide
PubChem CID62825077
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCC2CCOC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-8-15-13-3-5-14(6-4-13)20(17,18)16-10-12-7-9-19-11-12/h3-6,12,15-16H,2,7-11H2,1H3
InChIKeyOUEYSEWFJVJTDM-UHFFFAOYSA-N
XLogP1.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide
CID 62146549
4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114420
N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
2-[4-(oxolan-3-ylmethylsulfamoyl)phenyl]acetic acid
CID 60920003
4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80609830
N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide
CID 82744052
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-(oxan-4-ylmethylsulfamoyl)benzenesulfonyl fluoride
CID 114958320
3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203510
4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 103697478
N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47203478

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide (CID 62825077) is N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)NCC2CCOC2)cc1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide?
The InChIKey is OUEYSEWFJVJTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-8-15-13-3-5-14(6-4-13)20(17,18)16-10-12-7-9-19-11-12/h3-6,12,15-16H,2,7-11H2,1H3.
What are the key properties of N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide?
N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 62825077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).