1-methoxy-2-[(sulfamoylamino)methyl]benzene

C8H12N2O3S — CID 21041220

IUPAC1-methoxy-2-[(sulfamoylamino)methyl]benzene
SMILESCOc1ccccc1CNS(N)(=O)=O
InChIInChI=1S/C8H12N2O3S/c1-13-8-5-3-2-4-7(8)6-10-14(9,11)12/h2-5,10H,6H2,1H3,(H2,9,11,12)
InChIKeyDIICRIHBNVIDOR-UHFFFAOYSA-N
MW216.26 g/mol
LogP-0.01
Rot. Bonds4

About 1-methoxy-2-[(sulfamoylamino)methyl]benzene

1-methoxy-2-[(sulfamoylamino)methyl]benzene (PubChem CID 21041220) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-methoxy-2-[(sulfamoylamino)methyl]benzene.

Molecular Properties

Compound Name1-methoxy-2-[(sulfamoylamino)methyl]benzene
PubChem CID21041220
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name1-methoxy-2-[(sulfamoylamino)methyl]benzene
SMILESCOc1ccccc1CNS(N)(=O)=O
InChIInChI=1S/C8H12N2O3S/c1-13-8-5-3-2-4-7(8)6-10-14(9,11)12/h2-5,10H,6H2,1H3,(H2,9,11,12)
InChIKeyDIICRIHBNVIDOR-UHFFFAOYSA-N
XLogP-0.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 114958694
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 43454817
5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 43332828
2-amino-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 62164569
4-(bromomethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65481384
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 172793035
1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene
CID 71659103
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65202045
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(sulfamoylamino)methyl]benzene?
The IUPAC name of 1-methoxy-2-[(sulfamoylamino)methyl]benzene (CID 21041220) is 1-methoxy-2-[(sulfamoylamino)methyl]benzene.
What is the SMILES notation for 1-methoxy-2-[(sulfamoylamino)methyl]benzene?
The canonical SMILES for 1-methoxy-2-[(sulfamoylamino)methyl]benzene is COc1ccccc1CNS(N)(=O)=O.
What is the InChIKey of 1-methoxy-2-[(sulfamoylamino)methyl]benzene?
The InChIKey is DIICRIHBNVIDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-13-8-5-3-2-4-7(8)6-10-14(9,11)12/h2-5,10H,6H2,1H3,(H2,9,11,12).
What are the key properties of 1-methoxy-2-[(sulfamoylamino)methyl]benzene?
1-methoxy-2-[(sulfamoylamino)methyl]benzene has a molecular weight of 216.26 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(sulfamoylamino)methyl]benzene is sourced from PubChem (CID 21041220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).