1-(2-cyanophenyl)-3-(4-sulfamoylphenyl)urea

C14H12N4O3S — CID 2476733

IUPAC1-(2-cyanophenyl)-3-(4-sulfamoylphenyl)urea
SMILESN#Cc1ccccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H12N4O3S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
InChIKeyHOUIRAFTHIMUSN-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.85
Rot. Bonds3

About 1-(2-cyanophenyl)-3-(4-sulfamoylphenyl)urea

1-(2-cyanophenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 2476733) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(2-cyanophenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID2476733
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC Name1-(2-cyanophenyl)-3-(4-sulfamoylphenyl)urea
SMILESN#Cc1ccccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H12N4O3S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
InChIKeyHOUIRAFTHIMUSN-UHFFFAOYSA-N
XLogP1.85
TPSA125.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Slc-0111
CID 310360
1-Phenyl-3-(p-toluenesulfonyl)urea
CID 847415
4-[(Anilinocarbonyl)amino]benzenesulfonamide
CID 306924
4-({[2-(1-Methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide
CID 50909908
4-({[4-(Trifluoromethyl)anilino]carbonyl}amino)benzenesulfonamide
CID 2813478
N-({[4-(Aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide
CID 6852128
1-Phenyl-3-(2-(4-sulfamoylphenyl)ethyl)urea
CID 4229592
Benzenesulfonamide, 4-[[[(phenylamino)carbonyl]amino]methyl]-
CID 10614528
4-{[(3,5-Dimethylphenyl)carbamoyl]amino}benzene-1-Sulfonamide
CID 27868075
1-(4-(Methylsulfonyl)phenyl)-3-p-tolylurea
CID 44447102
1-(3-Propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea
CID 27871218
1-(4-Aminophenyl)-3-(4-sulfamoylphenyl)urea
CID 43468983

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(2-cyanophenyl)-3-(4-sulfamoylphenyl)urea (CID 2476733) is 1-(2-cyanophenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(2-cyanophenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(2-cyanophenyl)-3-(4-sulfamoylphenyl)urea is N#Cc1ccccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-(2-cyanophenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is HOUIRAFTHIMUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-(2-cyanophenyl)-3-(4-sulfamoylphenyl)urea?
1-(2-cyanophenyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 316.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 2476733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).