1-(3,5-dimethylphenyl)-3-[4-(sulfamoylamino)phenyl]urea

C15H18N4O3S — CID 71273630

IUPAC1-(3,5-dimethylphenyl)-3-[4-(sulfamoylamino)phenyl]urea
SMILESCc1cc(C)cc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H18N4O3S/c1-10-7-11(2)9-14(8-10)18-15(20)17-12-3-5-13(6-4-12)19-23(16,21)22/h3-9,19H,1-2H3,(H2,16,21,22)(H2,17,18,20)
InChIKeyHYJDBNCSABGIPG-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.56
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-3-[4-(sulfamoylamino)phenyl]urea

1-(3,5-dimethylphenyl)-3-[4-(sulfamoylamino)phenyl]urea (PubChem CID 71273630) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[4-(sulfamoylamino)phenyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[4-(sulfamoylamino)phenyl]urea
PubChem CID71273630
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name1-(3,5-dimethylphenyl)-3-[4-(sulfamoylamino)phenyl]urea
SMILESCc1cc(C)cc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H18N4O3S/c1-10-7-11(2)9-14(8-10)18-15(20)17-12-3-5-13(6-4-12)19-23(16,21)22/h3-9,19H,1-2H3,(H2,16,21,22)(H2,17,18,20)
InChIKeyHYJDBNCSABGIPG-UHFFFAOYSA-N
XLogP2.56
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[4-(sulfamoylamino)phenyl]urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[4-(sulfamoylamino)phenyl]urea (CID 71273630) is 1-(3,5-dimethylphenyl)-3-[4-(sulfamoylamino)phenyl]urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[4-(sulfamoylamino)phenyl]urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[4-(sulfamoylamino)phenyl]urea is Cc1cc(C)cc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[4-(sulfamoylamino)phenyl]urea?
The InChIKey is HYJDBNCSABGIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10-7-11(2)9-14(8-10)18-15(20)17-12-3-5-13(6-4-12)19-23(16,21)22/h3-9,19H,1-2H3,(H2,16,21,22)(H2,17,18,20).
What are the key properties of 1-(3,5-dimethylphenyl)-3-[4-(sulfamoylamino)phenyl]urea?
1-(3,5-dimethylphenyl)-3-[4-(sulfamoylamino)phenyl]urea has a molecular weight of 334.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[4-(sulfamoylamino)phenyl]urea is sourced from PubChem (CID 71273630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).