1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene

C10H16N2O4S — CID 71659103

IUPAC1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene
SMILESCOc1cccc(CCNS(N)(=O)=O)c1OC
InChIInChI=1S/C10H16N2O4S/c1-15-9-5-3-4-8(10(9)16-2)6-7-12-17(11,13)14/h3-5,12H,6-7H2,1-2H3,(H2,11,13,14)
InChIKeyIIQNQZNOESPILM-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.04
Rot. Bonds6

About 1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene

1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene (PubChem CID 71659103) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene
PubChem CID71659103
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene
SMILESCOc1cccc(CCNS(N)(=O)=O)c1OC
InChIInChI=1S/C10H16N2O4S/c1-15-9-5-3-4-8(10(9)16-2)6-7-12-17(11,13)14/h3-5,12H,6-7H2,1-2H3,(H2,11,13,14)
InChIKeyIIQNQZNOESPILM-UHFFFAOYSA-N
XLogP0.04
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide
CID 3449408
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CID 71658869
1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 21041220
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
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N-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide
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3-(2,3-dimethoxyphenyl)-N-methylpropan-1-amine
CID 54776109
N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide
CID 28732222
(2,3-dimethoxyphenyl)methanesulfonic acid
CID 174487670
3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 22108283
propan-2-yl (2,3-dimethoxyphenyl)methanesulfonate
CID 22901832
2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
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N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene?
The IUPAC name of 1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene (CID 71659103) is 1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene.
What is the SMILES notation for 1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene?
The canonical SMILES for 1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene is COc1cccc(CCNS(N)(=O)=O)c1OC.
What is the InChIKey of 1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene?
The InChIKey is IIQNQZNOESPILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-15-9-5-3-4-8(10(9)16-2)6-7-12-17(11,13)14/h3-5,12H,6-7H2,1-2H3,(H2,11,13,14).
What are the key properties of 1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene?
1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene has a molecular weight of 260.31 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene is sourced from PubChem (CID 71659103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).