phenyl N'-(benzenesulfonyl)carbamimidate

C13H12N2O3S — CID 70117116

IUPACphenyl N'-(benzenesulfonyl)carbamimidate
SMILESNC(=NS(=O)(=O)c1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H12N2O3S/c14-13(18-11-7-3-1-4-8-11)15-19(16,17)12-9-5-2-6-10-12/h1-10H,(H2,14,15)
InChIKeyPZCOLZJMUXUXQY-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.77
Rot. Bonds3

About phenyl N'-(benzenesulfonyl)carbamimidate

phenyl N'-(benzenesulfonyl)carbamimidate (PubChem CID 70117116) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is phenyl N'-(benzenesulfonyl)carbamimidate.

Molecular Properties

Compound Namephenyl N'-(benzenesulfonyl)carbamimidate
PubChem CID70117116
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Namephenyl N'-(benzenesulfonyl)carbamimidate
SMILESNC(=NS(=O)(=O)c1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H12N2O3S/c14-13(18-11-7-3-1-4-8-11)15-19(16,17)12-9-5-2-6-10-12/h1-10H,(H2,14,15)
InChIKeyPZCOLZJMUXUXQY-UHFFFAOYSA-N
XLogP1.77
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

phenyl N'-(iodomethylsulfonyl)carbamimidate
CID 134986311
[(E)-[amino(phenoxy)methylidene]amino] benzenesulfonate
CID 54598389
N'-(benzenesulfonyl)ethanimidamide
CID 3716690
[(Z)-[amino(phenoxy)methylidene]amino] methanesulfonate
CID 23631755
N'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide
CID 34555254
2-(benzenesulfonyl)-1-(dihydroxyamino)guanidine
CID 71618017
ethyl N-(benzenesulfonyl)benzenecarboximidate
CID 21203329
N'-(benzenesulfonyl)piperidine-1-carboximidamide
CID 75092022
2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine
CID 2842661
2-(benzenesulfonyl)-1-pyridin-3-ylguanidine
CID 18770578
N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide
CID 555502
2-(4-methoxyphenyl)sulfonylguanidine
CID 10775754

Frequently Asked Questions

What is the IUPAC name of phenyl N'-(benzenesulfonyl)carbamimidate?
The IUPAC name of phenyl N'-(benzenesulfonyl)carbamimidate (CID 70117116) is phenyl N'-(benzenesulfonyl)carbamimidate.
What is the SMILES notation for phenyl N'-(benzenesulfonyl)carbamimidate?
The canonical SMILES for phenyl N'-(benzenesulfonyl)carbamimidate is NC(=NS(=O)(=O)c1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl N'-(benzenesulfonyl)carbamimidate?
The InChIKey is PZCOLZJMUXUXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c14-13(18-11-7-3-1-4-8-11)15-19(16,17)12-9-5-2-6-10-12/h1-10H,(H2,14,15).
What are the key properties of phenyl N'-(benzenesulfonyl)carbamimidate?
phenyl N'-(benzenesulfonyl)carbamimidate has a molecular weight of 276.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N'-(benzenesulfonyl)carbamimidate is sourced from PubChem (CID 70117116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).