1-[4-(propan-2-ylsulfamoylamino)naphthalen-1-yl]oxypropan-2-ol

C16H22N2O4S — CID 175193230

IUPAC1-[4-(propan-2-ylsulfamoylamino)naphthalen-1-yl]oxypropan-2-ol
SMILESCC(O)COc1ccc(NS(=O)(=O)NC(C)C)c2ccccc12
InChIInChI=1S/C16H22N2O4S/c1-11(2)17-23(20,21)18-15-8-9-16(22-10-12(3)19)14-7-5-4-6-13(14)15/h4-9,11-12,17-19H,10H2,1-3H3
InChIKeyPBQFPBSLKKHTOB-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.25
Rot. Bonds7

About 1-[4-(propan-2-ylsulfamoylamino)naphthalen-1-yl]oxypropan-2-ol

1-[4-(propan-2-ylsulfamoylamino)naphthalen-1-yl]oxypropan-2-ol (PubChem CID 175193230) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-[4-(propan-2-ylsulfamoylamino)naphthalen-1-yl]oxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(propan-2-ylsulfamoylamino)naphthalen-1-yl]oxypropan-2-ol
PubChem CID175193230
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name1-[4-(propan-2-ylsulfamoylamino)naphthalen-1-yl]oxypropan-2-ol
SMILESCC(O)COc1ccc(NS(=O)(=O)NC(C)C)c2ccccc12
InChIInChI=1S/C16H22N2O4S/c1-11(2)17-23(20,21)18-15-8-9-16(22-10-12(3)19)14-7-5-4-6-13(14)15/h4-9,11-12,17-19H,10H2,1-3H3
InChIKeyPBQFPBSLKKHTOB-UHFFFAOYSA-N
XLogP2.25
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol
CID 14692873
1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one
CID 3031026
4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide
CID 129396178
2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde
CID 60884344
2-methoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]propanamide
CID 100752413
1-[2-(2-hydroxypropoxy)-3-propan-2-ylphenoxy]propan-2-ol
CID 70257294
1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 90672310
1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023
N-[4-(2-methylpropoxy)naphthalen-1-yl]-1-phenylcyclopentane-1-carboxamide
CID 100719168
5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-oxo-1,3-dioxane-5-carboxamide
CID 100778906
1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol
CID 60888861
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327

Frequently Asked Questions

What is the IUPAC name of 1-[4-(propan-2-ylsulfamoylamino)naphthalen-1-yl]oxypropan-2-ol?
The IUPAC name of 1-[4-(propan-2-ylsulfamoylamino)naphthalen-1-yl]oxypropan-2-ol (CID 175193230) is 1-[4-(propan-2-ylsulfamoylamino)naphthalen-1-yl]oxypropan-2-ol.
What is the SMILES notation for 1-[4-(propan-2-ylsulfamoylamino)naphthalen-1-yl]oxypropan-2-ol?
The canonical SMILES for 1-[4-(propan-2-ylsulfamoylamino)naphthalen-1-yl]oxypropan-2-ol is CC(O)COc1ccc(NS(=O)(=O)NC(C)C)c2ccccc12.
What is the InChIKey of 1-[4-(propan-2-ylsulfamoylamino)naphthalen-1-yl]oxypropan-2-ol?
The InChIKey is PBQFPBSLKKHTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-11(2)17-23(20,21)18-15-8-9-16(22-10-12(3)19)14-7-5-4-6-13(14)15/h4-9,11-12,17-19H,10H2,1-3H3.
What are the key properties of 1-[4-(propan-2-ylsulfamoylamino)naphthalen-1-yl]oxypropan-2-ol?
1-[4-(propan-2-ylsulfamoylamino)naphthalen-1-yl]oxypropan-2-ol has a molecular weight of 338.43 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propan-2-ylsulfamoylamino)naphthalen-1-yl]oxypropan-2-ol is sourced from PubChem (CID 175193230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).