1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide

C14H12ClN3O2S — CID 61107710

IUPAC1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)Cc2ccc(N)cc2)ccc1Cl
InChIInChI=1S/C14H12ClN3O2S/c15-14-6-5-13(7-11(14)8-16)18-21(19,20)9-10-1-3-12(17)4-2-10/h1-7,18H,9,17H2
InChIKeyDJGTVSVDGCUGCJ-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.74
Rot. Bonds4

About 1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide

1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide (PubChem CID 61107710) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide
PubChem CID61107710
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)Cc2ccc(N)cc2)ccc1Cl
InChIInChI=1S/C14H12ClN3O2S/c15-14-6-5-13(7-11(14)8-16)18-21(19,20)9-10-1-3-12(17)4-2-10/h1-7,18H,9,17H2
InChIKeyDJGTVSVDGCUGCJ-UHFFFAOYSA-N
XLogP2.74
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide (CID 61107710) is 1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide is N#Cc1cc(NS(=O)(=O)Cc2ccc(N)cc2)ccc1Cl.
What is the InChIKey of 1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide?
The InChIKey is DJGTVSVDGCUGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c15-14-6-5-13(7-11(14)8-16)18-21(19,20)9-10-1-3-12(17)4-2-10/h1-7,18H,9,17H2.
What are the key properties of 1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide?
1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide has a molecular weight of 321.79 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 61107710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).