1-propan-2-yloxy-2-[1-(sulfamoylamino)ethyl]benzene

C11H18N2O3S — CID 112686035

IUPAC1-propan-2-yloxy-2-[1-(sulfamoylamino)ethyl]benzene
SMILESCC(C)Oc1ccccc1C(C)NS(N)(=O)=O
InChIInChI=1S/C11H18N2O3S/c1-8(2)16-11-7-5-4-6-10(11)9(3)13-17(12,14)15/h4-9,13H,1-3H3,(H2,12,14,15)
InChIKeySGXBJZZJVSKOKZ-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.33
Rot. Bonds5

About 1-propan-2-yloxy-2-[1-(sulfamoylamino)ethyl]benzene

1-propan-2-yloxy-2-[1-(sulfamoylamino)ethyl]benzene (PubChem CID 112686035) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-propan-2-yloxy-2-[1-(sulfamoylamino)ethyl]benzene.

Molecular Properties

Compound Name1-propan-2-yloxy-2-[1-(sulfamoylamino)ethyl]benzene
PubChem CID112686035
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name1-propan-2-yloxy-2-[1-(sulfamoylamino)ethyl]benzene
SMILESCC(C)Oc1ccccc1C(C)NS(N)(=O)=O
InChIInChI=1S/C11H18N2O3S/c1-8(2)16-11-7-5-4-6-10(11)9(3)13-17(12,14)15/h4-9,13H,1-3H3,(H2,12,14,15)
InChIKeySGXBJZZJVSKOKZ-UHFFFAOYSA-N
XLogP1.33
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide
CID 94661169
3-[1-(2-propan-2-yloxyphenyl)ethylsulfamoyl]propanoic acid
CID 43716797
1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine
CID 64631767
N-[(1R)-1-(2-methoxyphenyl)ethyl]methanesulfonamide
CID 28560460
4-fluoro-1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene
CID 112686064
N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine
CID 103439093
N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 28560659
2-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propanamide
CID 47308123
4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide
CID 47042681
methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate
CID 115282442
2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
CID 43701714
4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 35403599

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-2-[1-(sulfamoylamino)ethyl]benzene?
The IUPAC name of 1-propan-2-yloxy-2-[1-(sulfamoylamino)ethyl]benzene (CID 112686035) is 1-propan-2-yloxy-2-[1-(sulfamoylamino)ethyl]benzene.
What is the SMILES notation for 1-propan-2-yloxy-2-[1-(sulfamoylamino)ethyl]benzene?
The canonical SMILES for 1-propan-2-yloxy-2-[1-(sulfamoylamino)ethyl]benzene is CC(C)Oc1ccccc1C(C)NS(N)(=O)=O.
What is the InChIKey of 1-propan-2-yloxy-2-[1-(sulfamoylamino)ethyl]benzene?
The InChIKey is SGXBJZZJVSKOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8(2)16-11-7-5-4-6-10(11)9(3)13-17(12,14)15/h4-9,13H,1-3H3,(H2,12,14,15).
What are the key properties of 1-propan-2-yloxy-2-[1-(sulfamoylamino)ethyl]benzene?
1-propan-2-yloxy-2-[1-(sulfamoylamino)ethyl]benzene has a molecular weight of 258.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-2-[1-(sulfamoylamino)ethyl]benzene is sourced from PubChem (CID 112686035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).