N-[3-(1,2-dicyanoethenylamino)phenyl]methanesulfonamide

C11H10N4O2S — CID 67571264

IUPACN-[3-(1,2-dicyanoethenylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NC(C#N)=CC#N)c1
InChIInChI=1S/C11H10N4O2S/c1-18(16,17)15-10-4-2-3-9(7-10)14-11(8-13)5-6-12/h2-5,7,14-15H,1H3
InChIKeyMPDNBGHSPFXPFS-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.40
Rot. Bonds4

About N-[3-(1,2-dicyanoethenylamino)phenyl]methanesulfonamide

N-[3-(1,2-dicyanoethenylamino)phenyl]methanesulfonamide (PubChem CID 67571264) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-[3-(1,2-dicyanoethenylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1,2-dicyanoethenylamino)phenyl]methanesulfonamide
PubChem CID67571264
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC NameN-[3-(1,2-dicyanoethenylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NC(C#N)=CC#N)c1
InChIInChI=1S/C11H10N4O2S/c1-18(16,17)15-10-4-2-3-9(7-10)14-11(8-13)5-6-12/h2-5,7,14-15H,1H3
InChIKeyMPDNBGHSPFXPFS-UHFFFAOYSA-N
XLogP1.40
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide
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3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
N-[4-[2-[3-(methanesulfonamido)anilino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421162
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide
CID 61274883
2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940520
N-[3-(methanesulfonamido)phenyl]-3-phenylbenzamide
CID 169152254
lithium 3-[[3-(methanesulfonamido)phenyl]carbamoyl]benzenesulfonate
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2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide
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CID 120559877

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2-dicyanoethenylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(1,2-dicyanoethenylamino)phenyl]methanesulfonamide (CID 67571264) is N-[3-(1,2-dicyanoethenylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(1,2-dicyanoethenylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(1,2-dicyanoethenylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(NC(C#N)=CC#N)c1.
What is the InChIKey of N-[3-(1,2-dicyanoethenylamino)phenyl]methanesulfonamide?
The InChIKey is MPDNBGHSPFXPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-18(16,17)15-10-4-2-3-9(7-10)14-11(8-13)5-6-12/h2-5,7,14-15H,1H3.
What are the key properties of N-[3-(1,2-dicyanoethenylamino)phenyl]methanesulfonamide?
N-[3-(1,2-dicyanoethenylamino)phenyl]methanesulfonamide has a molecular weight of 262.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2-dicyanoethenylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 67571264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).