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

C8H13N3O3S — CID 114958694

IUPAC4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene
SMILESCOc1ccc(N)cc1CNS(N)(=O)=O
InChIInChI=1S/C8H13N3O3S/c1-14-8-3-2-7(9)4-6(8)5-11-15(10,12)13/h2-4,11H,5,9H2,1H3,(H2,10,12,13)
InChIKeyKRDPKBGVUKLDKP-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.43
Rot. Bonds4

About 4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene

4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene (PubChem CID 114958694) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene.

Molecular Properties

Compound Name4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene
PubChem CID114958694
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene
SMILESCOc1ccc(N)cc1CNS(N)(=O)=O
InChIInChI=1S/C8H13N3O3S/c1-14-8-3-2-7(9)4-6(8)5-11-15(10,12)13/h2-4,11H,5,9H2,1H3,(H2,10,12,13)
InChIKeyKRDPKBGVUKLDKP-UHFFFAOYSA-N
XLogP-0.43
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide
CID 61014555
N-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide
CID 54903496
1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 21041220
4-methoxy-3-(methylaminomethyl)aniline
CID 21415904
N-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 54903401
N-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099528
N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62062082
N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413904
N-[(5-amino-2-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 61014823
3-(tert-butylsulfonylmethyl)-4-methoxyaniline
CID 43444347
4-methoxy-3-(2-methylbutylsulfonylmethyl)aniline
CID 107751659
N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline
CID 142222409

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene?
The IUPAC name of 4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene (CID 114958694) is 4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene.
What is the SMILES notation for 4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene?
The canonical SMILES for 4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene is COc1ccc(N)cc1CNS(N)(=O)=O.
What is the InChIKey of 4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene?
The InChIKey is KRDPKBGVUKLDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-14-8-3-2-7(9)4-6(8)5-11-15(10,12)13/h2-4,11H,5,9H2,1H3,(H2,10,12,13).
What are the key properties of 4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene?
4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene has a molecular weight of 231.28 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene is sourced from PubChem (CID 114958694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).