N-cyano-N-phenylbenzenesulfonamide

C13H10N2O2S — CID 21323003

IUPACN-cyano-N-phenylbenzenesulfonamide
SMILESN#CN(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H10N2O2S/c14-11-15(12-7-3-1-4-8-12)18(16,17)13-9-5-2-6-10-13/h1-10H
InChIKeyVBOBDSYQEZUOGV-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.36
Rot. Bonds3

About N-cyano-N-phenylbenzenesulfonamide

N-cyano-N-phenylbenzenesulfonamide (PubChem CID 21323003) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-cyano-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyano-N-phenylbenzenesulfonamide
PubChem CID21323003
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC NameN-cyano-N-phenylbenzenesulfonamide
SMILESN#CN(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H10N2O2S/c14-11-15(12-7-3-1-4-8-12)18(16,17)13-9-5-2-6-10-13/h1-10H
InChIKeyVBOBDSYQEZUOGV-UHFFFAOYSA-N
XLogP2.36
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-cyano-N-(4-methoxyphenyl)benzenesulfonamide
CID 141484431
N-cyano-N-(2-fluorophenyl)-4-methylbenzenesulfonamide
CID 155663443
N-methoxy-N-phenylbenzenesulfonamide
CID 10801496
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
2-[benzenesulfonyl(2-thiocyanatoethyl)amino]ethyl thiocyanate
CID 121014576
N-benzyl-N-(cyanomethyl)benzenesulfonamide
CID 51258343
N-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide
CID 22292988
[4-(N-cyanoanilino)phenyl]-phenylcyanamide
CID 21331386
N-(benzenesulfonyl)-N-[(4-cyanophenyl)methyl]benzenesulfonamide
CID 135065156
N-(2-cyanoethyl)-4-iodo-N-phenylbenzenesulfonamide
CID 3721933
N-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide
CID 91758496
1-[N-(benzenesulfonyl)anilino]-3-phenylurea
CID 146401707

Frequently Asked Questions

What is the IUPAC name of N-cyano-N-phenylbenzenesulfonamide?
The IUPAC name of N-cyano-N-phenylbenzenesulfonamide (CID 21323003) is N-cyano-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-cyano-N-phenylbenzenesulfonamide?
The canonical SMILES for N-cyano-N-phenylbenzenesulfonamide is N#CN(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-cyano-N-phenylbenzenesulfonamide?
The InChIKey is VBOBDSYQEZUOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c14-11-15(12-7-3-1-4-8-12)18(16,17)13-9-5-2-6-10-13/h1-10H.
What are the key properties of N-cyano-N-phenylbenzenesulfonamide?
N-cyano-N-phenylbenzenesulfonamide has a molecular weight of 258.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N-phenylbenzenesulfonamide is sourced from PubChem (CID 21323003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).