(2,2-diphenylacetyl)-methylsulfamic acid

C15H15NO4S — CID 174462025

IUPAC(2,2-diphenylacetyl)-methylsulfamic acid
SMILESCN(C(=O)C(c1ccccc1)c1ccccc1)S(=O)(=O)O
InChIInChI=1S/C15H15NO4S/c1-16(21(18,19)20)15(17)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3,(H,18,19,20)
InChIKeyTVPMSECJFPYMAC-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.08
Rot. Bonds4

About (2,2-diphenylacetyl)-methylsulfamic acid

(2,2-diphenylacetyl)-methylsulfamic acid (PubChem CID 174462025) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is (2,2-diphenylacetyl)-methylsulfamic acid.

Molecular Properties

Compound Name(2,2-diphenylacetyl)-methylsulfamic acid
PubChem CID174462025
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name(2,2-diphenylacetyl)-methylsulfamic acid
SMILESCN(C(=O)C(c1ccccc1)c1ccccc1)S(=O)(=O)O
InChIInChI=1S/C15H15NO4S/c1-16(21(18,19)20)15(17)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3,(H,18,19,20)
InChIKeyTVPMSECJFPYMAC-UHFFFAOYSA-N
XLogP2.08
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
CID 89402051
N,N-dimethyl-2,2-diphenylacetamide;ethane
CID 67314826
N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid
CID 70599028
N-[2-(dimethylamino)-1-phenylpropyl]-2,2-diphenyl-N-propan-2-ylacetamide;hydrobromide
CID 161073527
N-hydroxy-N,2,2-triphenylacetamide
CID 23854752
2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid
CID 7209593
lithium;2,2-diphenylacetic acid;hydride
CID 174648923
N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide
CID 111695707
N,N-dimethyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133219262
methyl(1-phenylethyl)carbamic acid
CID 67062794
N-methyl-2,2-diphenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide
CID 121357490

Frequently Asked Questions

What is the IUPAC name of (2,2-diphenylacetyl)-methylsulfamic acid?
The IUPAC name of (2,2-diphenylacetyl)-methylsulfamic acid (CID 174462025) is (2,2-diphenylacetyl)-methylsulfamic acid.
What is the SMILES notation for (2,2-diphenylacetyl)-methylsulfamic acid?
The canonical SMILES for (2,2-diphenylacetyl)-methylsulfamic acid is CN(C(=O)C(c1ccccc1)c1ccccc1)S(=O)(=O)O.
What is the InChIKey of (2,2-diphenylacetyl)-methylsulfamic acid?
The InChIKey is TVPMSECJFPYMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-16(21(18,19)20)15(17)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3,(H,18,19,20).
What are the key properties of (2,2-diphenylacetyl)-methylsulfamic acid?
(2,2-diphenylacetyl)-methylsulfamic acid has a molecular weight of 305.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diphenylacetyl)-methylsulfamic acid is sourced from PubChem (CID 174462025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).