N-(1H-benzimidazol-2-yl)-3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

C20H21BrN4O3S — CID 2161818

IUPACN-(1H-benzimidazol-2-yl)-3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)Nc3nc4ccccc4[nH]3)c2)CC1
InChIInChI=1S/C20H21BrN4O3S/c1-13-6-8-25(9-7-13)29(27,28)16-11-14(10-15(21)12-16)19(26)24-20-22-17-4-2-3-5-18(17)23-20/h2-5,10-13H,6-9H2,1H3,(H2,22,23,24,26)
InChIKeyWQFRXABZIABQQR-UHFFFAOYSA-N
MW477.38 g/mol
LogP4.00
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-(1H-benzimidazol-2-yl)-3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 2161818) has the molecular formula C20H21BrN4O3S and a molecular weight of 477.38 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID2161818
Molecular FormulaC20H21BrN4O3S
Molecular Weight477.38 g/mol
Exact Mass476.05
IUPAC NameN-(1H-benzimidazol-2-yl)-3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)Nc3nc4ccccc4[nH]3)c2)CC1
InChIInChI=1S/C20H21BrN4O3S/c1-13-6-8-25(9-7-13)29(27,28)16-11-14(10-15(21)12-16)19(26)24-20-22-17-4-2-3-5-18(17)23-20/h2-5,10-13H,6-9H2,1H3,(H2,22,23,24,26)
InChIKeyWQFRXABZIABQQR-UHFFFAOYSA-N
XLogP4.00
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.38
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2583459
N-(1H-benzimidazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2583657
3-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 2427885
N-(1H-benzimidazol-2-yl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 42905920
N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 27649646
N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide
CID 146124527
N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 2583610
N-(1H-benzimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 27649274
(4-benzylpiperazin-1-yl)-[3-bromo-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 4000795
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 5168409
N-(1H-benzimidazol-2-yl)-4-[(4-bromophenyl)sulfonylamino]benzamide
CID 35808303
(2R)-N-(1H-benzimidazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 27649592

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 2161818) is N-(1H-benzimidazol-2-yl)-3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)Nc3nc4ccccc4[nH]3)c2)CC1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is WQFRXABZIABQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O3S/c1-13-6-8-25(9-7-13)29(27,28)16-11-14(10-15(21)12-16)19(26)24-20-22-17-4-2-3-5-18(17)23-20/h2-5,10-13H,6-9H2,1H3,(H2,22,23,24,26).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-(1H-benzimidazol-2-yl)-3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 477.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 2161818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).