4-propan-2-yl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide

C17H23N3O2S — CID 113081556

IUPAC4-propan-2-yl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCc2nc3c([nH]2)CCCC3)cc1
InChIInChI=1S/C17H23N3O2S/c1-12(2)13-7-9-14(10-8-13)23(21,22)18-11-17-19-15-5-3-4-6-16(15)20-17/h7-10,12,18H,3-6,11H2,1-2H3,(H,19,20)
InChIKeyUEYGKGYOUXKIEV-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.89
Rot. Bonds5

About 4-propan-2-yl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide

4-propan-2-yl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide (PubChem CID 113081556) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 4-propan-2-yl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
PubChem CID113081556
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name4-propan-2-yl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCc2nc3c([nH]2)CCCC3)cc1
InChIInChI=1S/C17H23N3O2S/c1-12(2)13-7-9-14(10-8-13)23(21,22)18-11-17-19-15-5-3-4-6-16(15)20-17/h7-10,12,18H,3-6,11H2,1-2H3,(H,19,20)
InChIKeyUEYGKGYOUXKIEV-UHFFFAOYSA-N
XLogP2.89
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
CID 113081564
3-chloro-4-methoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
CID 113081575
1-acetyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 113081583
2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779580
N-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)methanamine
CID 63927396
4-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide
CID 4046987
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 110730591
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 110405212
N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119973798
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 110671276
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154665
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154484

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide (CID 113081556) is 4-propan-2-yl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCc2nc3c([nH]2)CCCC3)cc1.
What is the InChIKey of 4-propan-2-yl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is UEYGKGYOUXKIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12(2)13-7-9-14(10-8-13)23(21,22)18-11-17-19-15-5-3-4-6-16(15)20-17/h7-10,12,18H,3-6,11H2,1-2H3,(H,19,20).
What are the key properties of 4-propan-2-yl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide?
4-propan-2-yl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 333.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 113081556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).