CID 172569700

C10H14BFN2O2S — CID 172569700

IUPAC—
SMILES[B]c1cc(C)cc(NS(=O)(=O)N(C)CC)c1F
InChIInChI=1S/C10H14BFN2O2S/c1-4-14(3)17(15,16)13-9-6-7(2)5-8(11)10(9)12/h5-6,13H,4H2,1-3H3
InChIKeyQJSGNYCQSIVWMJ-UHFFFAOYSA-N
MW256.11 g/mol
LogP0.54
Rot. Bonds4

About CID 172569700

CID 172569700 (PubChem CID 172569700) has the molecular formula C10H14BFN2O2S and a molecular weight of 256.11 g/mol.

Molecular Properties

Compound NameCID 172569700
PubChem CID172569700
Molecular FormulaC10H14BFN2O2S
Molecular Weight256.11 g/mol
Exact Mass256.09
IUPAC Name—
SMILES[B]c1cc(C)cc(NS(=O)(=O)N(C)CC)c1F
InChIInChI=1S/C10H14BFN2O2S/c1-4-14(3)17(15,16)13-9-6-7(2)5-8(11)10(9)12/h5-6,13H,4H2,1-3H3
InChIKeyQJSGNYCQSIVWMJ-UHFFFAOYSA-N
XLogP0.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 172569700 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

3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid
CID 67052501
2-fluoro-4-methyl-6-[[methyl(propyl)sulfamoyl]amino]benzoic acid
CID 154740202
1-amino-2-(diethylsulfamoylamino)-4-methylbenzene
CID 112557490
dimethyl 5-[[ethyl(methyl)sulfamoyl]amino]-4-hydroxybenzene-1,3-dicarboxylate
CID 167980485
N-[[2-[[ethyl(methyl)sulfamoyl]amino]phenyl]methyl]methanesulfonamide
CID 167823495
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene
CID 61456312
3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide
CID 43263056
1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene
CID 103144698
2-(dimethylsulfamoylamino)-1,4-dimethylbenzene
CID 3889138
5-(2-aminopyrimidin-4-yl)-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-2-methyl-1,3-thiazole
CID 172569894
methyl 3-[(3-fluoro-5-methylphenyl)sulfamoyl-methylamino]propanoate
CID 79054852
2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid
CID 84760847

Frequently Asked Questions

What is the IUPAC name of CID 172569700?
The IUPAC name of CID 172569700 (CID 172569700) is not available.
What is the SMILES notation for CID 172569700?
The canonical SMILES for CID 172569700 is [B]c1cc(C)cc(NS(=O)(=O)N(C)CC)c1F.
What is the InChIKey of CID 172569700?
The InChIKey is QJSGNYCQSIVWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BFN2O2S/c1-4-14(3)17(15,16)13-9-6-7(2)5-8(11)10(9)12/h5-6,13H,4H2,1-3H3.
What are the key properties of CID 172569700?
CID 172569700 has a molecular weight of 256.11 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172569700 is sourced from PubChem (CID 172569700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).