1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea

C21H19N3O3S — CID 1150802

IUPAC1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H19N3O3S/c25-21(22-17-7-2-1-3-8-17)23-18-10-12-19(13-11-18)28(26,27)24-15-14-16-6-4-5-9-20(16)24/h1-13H,14-15H2,(H2,22,23,25)
InChIKeyYLBBFFGAQVOFNT-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.08
Rot. Bonds4

About 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea

1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea (PubChem CID 1150802) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
PubChem CID1150802
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H19N3O3S/c25-21(22-17-7-2-1-3-8-17)23-18-10-12-19(13-11-18)28(26,27)24-15-14-16-6-4-5-9-20(16)24/h1-13H,14-15H2,(H2,22,23,25)
InChIKeyYLBBFFGAQVOFNT-UHFFFAOYSA-N
XLogP4.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
CID 1010301
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-phenylacetamide
CID 4305979
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide
CID 4930404
(3R)-5-[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-3-methyl-5-oxopentanoic acid
CID 27522470
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-nitrobenzamide
CID 1362502
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide
CID 22583370
2,4-dichloro-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]benzamide
CID 1010318
(E)-3-(4-bromophenyl)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide
CID 137433207

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea (CID 1150802) is 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea?
The InChIKey is YLBBFFGAQVOFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c25-21(22-17-7-2-1-3-8-17)23-18-10-12-19(13-11-18)28(26,27)24-15-14-16-6-4-5-9-20(16)24/h1-13H,14-15H2,(H2,22,23,25).
What are the key properties of 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea?
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea has a molecular weight of 393.47 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea is sourced from PubChem (CID 1150802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).