N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide

C18H17N3O2S — CID 110867693

IUPACN-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H17N3O2S/c22-24(23,18-9-4-14-2-1-3-15(14)12-18)20-16-5-7-17(8-6-16)21-11-10-19-13-21/h4-13,20H,1-3H2
InChIKeyDIXLDFRTWYOKAC-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.16
Rot. Bonds4

About N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide

N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 110867693) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID110867693
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H17N3O2S/c22-24(23,18-9-4-14-2-1-3-15(14)12-18)20-16-5-7-17(8-6-16)21-11-10-19-13-21/h4-13,20H,1-3H2
InChIKeyDIXLDFRTWYOKAC-UHFFFAOYSA-N
XLogP3.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 71801231
4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 110867678
4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 110867679
N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide
CID 3768573
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110666787
N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 167882461
[4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea
CID 33488490
N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 84512971
N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103944070
2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 3671490
N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110728587
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112771015

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 110867693) is N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(Nc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is DIXLDFRTWYOKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-24(23,18-9-4-14-2-1-3-15(14)12-18)20-16-5-7-17(8-6-16)21-11-10-19-13-21/h4-13,20H,1-3H2.
What are the key properties of N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 110867693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).