1-methyl-3-[(sulfamoylamino)methyl]benzene

C8H12N2O2S — CID 66917095

IUPAC1-methyl-3-[(sulfamoylamino)methyl]benzene
SMILESCc1cccc(CNS(N)(=O)=O)c1
InChIInChI=1S/C8H12N2O2S/c1-7-3-2-4-8(5-7)6-10-13(9,11)12/h2-5,10H,6H2,1H3,(H2,9,11,12)
InChIKeyDAAOLIRFSRRKQB-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.29
Rot. Bonds3

About 1-methyl-3-[(sulfamoylamino)methyl]benzene

1-methyl-3-[(sulfamoylamino)methyl]benzene (PubChem CID 66917095) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-methyl-3-[(sulfamoylamino)methyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[(sulfamoylamino)methyl]benzene
PubChem CID66917095
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name1-methyl-3-[(sulfamoylamino)methyl]benzene
SMILESCc1cccc(CNS(N)(=O)=O)c1
InChIInChI=1S/C8H12N2O2S/c1-7-3-2-4-8(5-7)6-10-13(9,11)12/h2-5,10H,6H2,1H3,(H2,9,11,12)
InChIKeyDAAOLIRFSRRKQB-UHFFFAOYSA-N
XLogP0.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-[(sulfamoylamino)methyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene
CID 35383494
1-methyl-3-[(sulfamoylamino)methyl]benzene;2-phenylpyrimidine-5-carboxylic acid
CID 69163746
1-methyl-4-[(sulfamoylamino)methyl]benzene
CID 21041221
N-[(3-methylphenyl)methyl]cyclopropanesulfonamide
CID 118928947
3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60902763
2-(4-fluorophenyl)pyrimidine-5-carboxylic acid;1-methyl-3-[(sulfamoylamino)methyl]benzene
CID 69122712
4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 106996757
3-amino-4-fluoro-5-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 115421305
2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 62146693
2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47155184
(3-methylphenyl)methylurea
CID 60776531
4-methyl-2-pyridin-3-ylpyrimidine-5-carboxylic acid;1-methyl-3-[(sulfamoylamino)methyl]benzene
CID 69122538

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(sulfamoylamino)methyl]benzene?
The IUPAC name of 1-methyl-3-[(sulfamoylamino)methyl]benzene (CID 66917095) is 1-methyl-3-[(sulfamoylamino)methyl]benzene.
What is the SMILES notation for 1-methyl-3-[(sulfamoylamino)methyl]benzene?
The canonical SMILES for 1-methyl-3-[(sulfamoylamino)methyl]benzene is Cc1cccc(CNS(N)(=O)=O)c1.
What is the InChIKey of 1-methyl-3-[(sulfamoylamino)methyl]benzene?
The InChIKey is DAAOLIRFSRRKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-7-3-2-4-8(5-7)6-10-13(9,11)12/h2-5,10H,6H2,1H3,(H2,9,11,12).
What are the key properties of 1-methyl-3-[(sulfamoylamino)methyl]benzene?
1-methyl-3-[(sulfamoylamino)methyl]benzene has a molecular weight of 200.26 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(sulfamoylamino)methyl]benzene is sourced from PubChem (CID 66917095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).