N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide

C18H17N3O2S — CID 84512971

IUPACN-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cnc[nH]2)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H17N3O2S/c22-24(23,17-9-6-13-2-1-3-15(13)10-17)21-16-7-4-14(5-8-16)18-11-19-12-20-18/h4-12,21H,1-3H2,(H,19,20)
InChIKeyNZHVDMKNXGLRFF-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.37
Rot. Bonds4

About N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 84512971) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID84512971
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cnc[nH]2)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H17N3O2S/c22-24(23,17-9-6-13-2-1-3-15(13)10-17)21-16-7-4-14(5-8-16)18-11-19-12-20-18/h4-12,21H,1-3H2,(H,19,20)
InChIKeyNZHVDMKNXGLRFF-UHFFFAOYSA-N
XLogP3.37
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-imidazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 84512772
N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide
CID 84512955
N-[4-(1H-imidazol-5-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61275741
N-[4-[[4-(1H-imidazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 110668490
N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 167882461
N-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 46331649
N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide
CID 91956301
N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 127279830
[4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea
CID 33488490
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110281087
N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110867693
N-(6-oxo-1H-pyridin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110724962

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 84512971) is N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(Nc1ccc(-c2cnc[nH]2)cc1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is NZHVDMKNXGLRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-24(23,17-9-6-13-2-1-3-15(13)10-17)21-16-7-4-14(5-8-16)18-11-19-12-20-18/h4-12,21H,1-3H2,(H,19,20).
What are the key properties of N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 84512971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).