N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide

C18H21N3O2S — CID 110711606

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H21N3O2S/c1-18(2,3)13-8-10-14(11-9-13)24(22,23)19-12-17-20-15-6-4-5-7-16(15)21-17/h4-11,19H,12H2,1-3H3,(H,20,21)
InChIKeyISJBGCKMBDFPMX-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.34
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide

N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide (PubChem CID 110711606) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide
PubChem CID110711606
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H21N3O2S/c1-18(2,3)13-8-10-14(11-9-13)24(22,23)19-12-17-20-15-6-4-5-7-16(15)21-17/h4-11,19H,12H2,1-3H3,(H,20,21)
InChIKeyISJBGCKMBDFPMX-UHFFFAOYSA-N
XLogP3.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide
CID 79013941
N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide
CID 6736481
N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide
CID 30160078
N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 6735005
N-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide
CID 78991619
N-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide
CID 18105142
N-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106150581
2-(1H-benzimidazol-2-ylsulfanyl)-N'-(4-tert-butylphenyl)sulfonylacetohydrazide
CID 8505426
methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate
CID 78991650
N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide
CID 18105180
N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide
CID 78991651
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide (CID 110711606) is N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide?
The InChIKey is ISJBGCKMBDFPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-18(2,3)13-8-10-14(11-9-13)24(22,23)19-12-17-20-15-6-4-5-7-16(15)21-17/h4-11,19H,12H2,1-3H3,(H,20,21).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide?
N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 110711606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).