1-(2-phenylphenyl)-3-[4-(sulfamoylamino)phenyl]urea

C19H18N4O3S — CID 71273635

IUPAC1-(2-phenylphenyl)-3-[4-(sulfamoylamino)phenyl]urea
SMILESNS(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C19H18N4O3S/c20-27(25,26)23-16-12-10-15(11-13-16)21-19(24)22-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13,23H,(H2,20,25,26)(H2,21,22,24)
InChIKeyTVLLMAWPUQUHII-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.61
Rot. Bonds5

About 1-(2-phenylphenyl)-3-[4-(sulfamoylamino)phenyl]urea

1-(2-phenylphenyl)-3-[4-(sulfamoylamino)phenyl]urea (PubChem CID 71273635) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 1-(2-phenylphenyl)-3-[4-(sulfamoylamino)phenyl]urea.

Molecular Properties

Compound Name1-(2-phenylphenyl)-3-[4-(sulfamoylamino)phenyl]urea
PubChem CID71273635
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name1-(2-phenylphenyl)-3-[4-(sulfamoylamino)phenyl]urea
SMILESNS(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C19H18N4O3S/c20-27(25,26)23-16-12-10-15(11-13-16)21-19(24)22-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13,23H,(H2,20,25,26)(H2,21,22,24)
InChIKeyTVLLMAWPUQUHII-UHFFFAOYSA-N
XLogP3.61
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylphenyl)-3-[4-(sulfamoylamino)phenyl]urea?
The IUPAC name of 1-(2-phenylphenyl)-3-[4-(sulfamoylamino)phenyl]urea (CID 71273635) is 1-(2-phenylphenyl)-3-[4-(sulfamoylamino)phenyl]urea.
What is the SMILES notation for 1-(2-phenylphenyl)-3-[4-(sulfamoylamino)phenyl]urea?
The canonical SMILES for 1-(2-phenylphenyl)-3-[4-(sulfamoylamino)phenyl]urea is NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 1-(2-phenylphenyl)-3-[4-(sulfamoylamino)phenyl]urea?
The InChIKey is TVLLMAWPUQUHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c20-27(25,26)23-16-12-10-15(11-13-16)21-19(24)22-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13,23H,(H2,20,25,26)(H2,21,22,24).
What are the key properties of 1-(2-phenylphenyl)-3-[4-(sulfamoylamino)phenyl]urea?
1-(2-phenylphenyl)-3-[4-(sulfamoylamino)phenyl]urea has a molecular weight of 382.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylphenyl)-3-[4-(sulfamoylamino)phenyl]urea is sourced from PubChem (CID 71273635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).