[4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea

C16H17N3O3S — CID 33488490

IUPAC[4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea
SMILESNC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C16H17N3O3S/c17-16(20)18-13-5-7-14(8-6-13)19-23(21,22)15-9-4-11-2-1-3-12(11)10-15/h4-10,19H,1-3H2,(H3,17,18,20)
InChIKeyBQFFCMLCHJHBHZ-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.47
Rot. Bonds4

About [4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea

[4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea (PubChem CID 33488490) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea
PubChem CID33488490
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name[4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea
SMILESNC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C16H17N3O3S/c17-16(20)18-13-5-7-14(8-6-13)19-23(21,22)15-9-4-11-2-1-3-12(11)10-15/h4-10,19H,1-3H2,(H3,17,18,20)
InChIKeyBQFFCMLCHJHBHZ-UHFFFAOYSA-N
XLogP2.47
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide
CID 24580864
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 55361465
N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 64780149
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide
CID 107258346
N-[4-(phenylsulfamoyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18274203
N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 167882461
3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate
CID 8001167
N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
CID 7938792
N-[3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]cyclopropanecarboxamide
CID 35541261
4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 9441800
methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 113257635
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 4827704

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea?
The IUPAC name of [4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea (CID 33488490) is [4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea.
What is the SMILES notation for [4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea?
The canonical SMILES for [4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea is NC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of [4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea?
The InChIKey is BQFFCMLCHJHBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c17-16(20)18-13-5-7-14(8-6-13)19-23(21,22)15-9-4-11-2-1-3-12(11)10-15/h4-10,19H,1-3H2,(H3,17,18,20).
What are the key properties of [4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea?
[4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea has a molecular weight of 331.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea is sourced from PubChem (CID 33488490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).