2-methoxy-5-methyl-3-(sulfamoylamino)benzenesulfonamide

C8H13N3O5S2 — CID 115580034

IUPAC2-methoxy-5-methyl-3-(sulfamoylamino)benzenesulfonamide
SMILESCOc1c(NS(N)(=O)=O)cc(C)cc1S(N)(=O)=O
InChIInChI=1S/C8H13N3O5S2/c1-5-3-6(11-18(10,14)15)8(16-2)7(4-5)17(9,12)13/h3-4,11H,1-2H3,(H2,9,12,13)(H2,10,14,15)
InChIKeyQIMVHEPPGHRJOF-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.73
Rot. Bonds4

About 2-methoxy-5-methyl-3-(sulfamoylamino)benzenesulfonamide

2-methoxy-5-methyl-3-(sulfamoylamino)benzenesulfonamide (PubChem CID 115580034) has the molecular formula C8H13N3O5S2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-methoxy-5-methyl-3-(sulfamoylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-3-(sulfamoylamino)benzenesulfonamide
PubChem CID115580034
Molecular FormulaC8H13N3O5S2
Molecular Weight295.34 g/mol
Exact Mass295.03
IUPAC Name2-methoxy-5-methyl-3-(sulfamoylamino)benzenesulfonamide
SMILESCOc1c(NS(N)(=O)=O)cc(C)cc1S(N)(=O)=O
InChIInChI=1S/C8H13N3O5S2/c1-5-3-6(11-18(10,14)15)8(16-2)7(4-5)17(9,12)13/h3-4,11H,1-2H3,(H2,9,12,13)(H2,10,14,15)
InChIKeyQIMVHEPPGHRJOF-UHFFFAOYSA-N
XLogP-0.73
TPSA141.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(butylsulfonylamino)-2-methoxy-5-methylbenzenesulfonamide
CID 43246882
3-methoxy-2,4,5-trimethylbenzenesulfonamide
CID 175068082
2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide
CID 165474374
1-chloro-4-methyl-2-(sulfamoylamino)benzene
CID 107638348
2-methoxy-4,5-dimethylbenzenesulfonamide
CID 27241719
1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene
CID 114958706
4-methyl-2-(methylamino)benzenesulfonamide
CID 20558501
2-methoxy-3-[(2-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 168867113
6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-sulfonamide
CID 133098978
N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide
CID 110777538
3-chloro-2-methoxy-5-methylbenzenesulfonyl chloride
CID 84708493
2,3-difluoro-5-methylbenzenesulfonamide
CID 119018924

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-3-(sulfamoylamino)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-3-(sulfamoylamino)benzenesulfonamide (CID 115580034) is 2-methoxy-5-methyl-3-(sulfamoylamino)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-3-(sulfamoylamino)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-3-(sulfamoylamino)benzenesulfonamide is COc1c(NS(N)(=O)=O)cc(C)cc1S(N)(=O)=O.
What is the InChIKey of 2-methoxy-5-methyl-3-(sulfamoylamino)benzenesulfonamide?
The InChIKey is QIMVHEPPGHRJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S2/c1-5-3-6(11-18(10,14)15)8(16-2)7(4-5)17(9,12)13/h3-4,11H,1-2H3,(H2,9,12,13)(H2,10,14,15).
What are the key properties of 2-methoxy-5-methyl-3-(sulfamoylamino)benzenesulfonamide?
2-methoxy-5-methyl-3-(sulfamoylamino)benzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-3-(sulfamoylamino)benzenesulfonamide is sourced from PubChem (CID 115580034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).