CID 164702891

C17H18N2O4SSi- — CID 164702891

IUPAC—
SMILESCCCCNc1cc(C(=O)[Si])cc(NS(=O)[O-])c1Oc1ccccc1
InChIInChI=1S/C17H19N2O4SSi/c1-2-3-9-18-14-10-12(17(20)25)11-15(19-24(21)22)16(14)23-13-7-5-4-6-8-13/h4-8,10-11,18-19H,2-3,9H2,1H3,(H,21,22)/p-1
InChIKeyVABRZXNALMFYCV-UHFFFAOYSA-M
MW374.49 g/mol
LogP3.21
Rot. Bonds9

About CID 164702891

CID 164702891 (PubChem CID 164702891) has the molecular formula C17H18N2O4SSi- and a molecular weight of 374.49 g/mol.

Molecular Properties

Compound NameCID 164702891
PubChem CID164702891
Molecular FormulaC17H18N2O4SSi-
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC Name—
SMILESCCCCNc1cc(C(=O)[Si])cc(NS(=O)[O-])c1Oc1ccccc1
InChIInChI=1S/C17H19N2O4SSi/c1-2-3-9-18-14-10-12(17(20)25)11-15(19-24(21)22)16(14)23-13-7-5-4-6-8-13/h4-8,10-11,18-19H,2-3,9H2,1H3,(H,21,22)/p-1
InChIKeyVABRZXNALMFYCV-UHFFFAOYSA-M
XLogP3.21
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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1-(butylamino)-5-ethanethioyl-2-phenoxy-3-(sulfinoamino)benzene
CID 58033476
3-(butylamino)-5-(iodoamino)-4-phenoxybenzoic acid
CID 87450152
3-(butylamino)-5-(diethylsulfamoyl)-4-phenoxybenzoic acid
CID 58033467
3-(butylamino)-5-(tert-butylsulfamoyl)-4-phenoxybenzoic acid
CID 167435450
methyl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoate
CID 16657174
CID 131864336
CID 131864336
3-(butylamino)-5-(2,2-dimethylpropanoyl)-2-phenoxybenzenesulfonamide
CID 157245988
3-(butylamino)-5-(methylaminosulfonimidoyl)-4-phenoxybenzoic acid
CID 171513009
2-anilino-5-butoxycarbonyl-1-(butylamino)-3-(sulfinatoamino)benzene
CID 58033590
4-[2-(butylamino)-4-carboxy-6-(sulfinatoamino)phenyl]pyridine
CID 58033652
3-(butylamino)-N-ethyl-4-phenoxy-5-sulfamoylbenzamide
CID 46853783

Frequently Asked Questions

What is the IUPAC name of CID 164702891?
The IUPAC name of CID 164702891 (CID 164702891) is not available.
What is the SMILES notation for CID 164702891?
The canonical SMILES for CID 164702891 is CCCCNc1cc(C(=O)[Si])cc(NS(=O)[O-])c1Oc1ccccc1.
What is the InChIKey of CID 164702891?
The InChIKey is VABRZXNALMFYCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H19N2O4SSi/c1-2-3-9-18-14-10-12(17(20)25)11-15(19-24(21)22)16(14)23-13-7-5-4-6-8-13/h4-8,10-11,18-19H,2-3,9H2,1H3,(H,21,22)/p-1.
What are the key properties of CID 164702891?
CID 164702891 has a molecular weight of 374.49 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164702891 is sourced from PubChem (CID 164702891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).