N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide

C17H19N3O4S2 — CID 55906277

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)N(C)Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H19N3O4S2/c1-3-25(21,22)13-8-10-14(11-9-13)26(23,24)20(2)12-17-18-15-6-4-5-7-16(15)19-17/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyXXLNLCPNSIVDJU-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.18
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide

N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide (PubChem CID 55906277) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide
PubChem CID55906277
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)N(C)Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H19N3O4S2/c1-3-25(21,22)13-8-10-14(11-9-13)26(23,24)20(2)12-17-18-15-6-4-5-7-16(15)19-17/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyXXLNLCPNSIVDJU-UHFFFAOYSA-N
XLogP2.18
TPSA100.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide
CID 35385421
N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 35385496
N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 35385353
N-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide
CID 35385383
N-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide
CID 35385409
N-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide
CID 1264970
N-(1H-benzimidazol-2-ylmethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 162668375
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55823818
2-[[methyl-[(1-oxothiolan-1-ylidene)amino]sulfonylamino]methyl]-1H-benzimidazole
CID 126823525
trisilver;bis(1-(1H-benzimidazol-2-yl)-N,N-bis(1H-benzimidazol-2-ylmethyl)methanamine);tris(trifluoromethanesulfonate)
CID 139153801
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 4825744
(3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 35385286

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide (CID 55906277) is N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide is CCS(=O)(=O)c1ccc(S(=O)(=O)N(C)Cc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide?
The InChIKey is XXLNLCPNSIVDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-3-25(21,22)13-8-10-14(11-9-13)26(23,24)20(2)12-17-18-15-6-4-5-7-16(15)19-17/h4-11H,3,12H2,1-2H3,(H,18,19).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide?
N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide has a molecular weight of 393.49 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 55906277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).