azane;phenylmethanesulfonamide

C7H12N2O2S — CID 67842568

IUPACazane;phenylmethanesulfonamide
SMILESN.NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C7H9NO2S.H3N/c8-11(9,10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H2,8,9,10);1H3
InChIKeyNZYWMDNAHBWJNU-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.64
Rot. Bonds2

About azane;phenylmethanesulfonamide

azane;phenylmethanesulfonamide (PubChem CID 67842568) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is azane;phenylmethanesulfonamide.

Molecular Properties

Compound Nameazane;phenylmethanesulfonamide
PubChem CID67842568
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Nameazane;phenylmethanesulfonamide
SMILESN.NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C7H9NO2S.H3N/c8-11(9,10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H2,8,9,10);1H3
InChIKeyNZYWMDNAHBWJNU-UHFFFAOYSA-N
XLogP0.64
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 68896583
CID 68896583
phenylmethanesulfonamide;sulfuryl dichloride
CID 174345826
(4-fluorophenyl)methanesulfonamide
CID 16785078
(4-ethynylphenyl)methanesulfonamide
CID 118609326
(3-phenylmethoxyphenyl)methanesulfonamide
CID 165446616
N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097761
cerium(3+);phenylmethanesulfonate
CID 141496553
[(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene
CID 6158098
benzylsulfonylsulfanylsulfonylmethylbenzene
CID 68588123
alumane;phenylmethanesulfonic acid
CID 174435213
phenylmethanesulfonic acid;phosphane
CID 173374603
potassium;hydride;2-phenylethanesulfonamide
CID 173120901

Frequently Asked Questions

What is the IUPAC name of azane;phenylmethanesulfonamide?
The IUPAC name of azane;phenylmethanesulfonamide (CID 67842568) is azane;phenylmethanesulfonamide.
What is the SMILES notation for azane;phenylmethanesulfonamide?
The canonical SMILES for azane;phenylmethanesulfonamide is N.NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of azane;phenylmethanesulfonamide?
The InChIKey is NZYWMDNAHBWJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.H3N/c8-11(9,10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H2,8,9,10);1H3.
What are the key properties of azane;phenylmethanesulfonamide?
azane;phenylmethanesulfonamide has a molecular weight of 188.25 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;phenylmethanesulfonamide is sourced from PubChem (CID 67842568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).