4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide

C19H21ClN4O3S — CID 55408900

IUPAC4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
SMILESCCn1c(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)nc2ccccc21
InChIInChI=1S/C19H21ClN4O3S/c1-4-24-16-8-6-5-7-15(16)22-18(24)12-21-19(25)13-9-10-14(20)17(11-13)28(26,27)23(2)3/h5-11H,4,12H2,1-3H3,(H,21,25)
InChIKeyFPURLLKKINLGIJ-UHFFFAOYSA-N
MW420.92 g/mol
LogP2.89
Rot. Bonds6

About 4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide

4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 55408900) has the molecular formula C19H21ClN4O3S and a molecular weight of 420.92 g/mol. Its IUPAC name is 4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
PubChem CID55408900
Molecular FormulaC19H21ClN4O3S
Molecular Weight420.92 g/mol
Exact Mass420.10
IUPAC Name4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
SMILESCCn1c(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)nc2ccccc21
InChIInChI=1S/C19H21ClN4O3S/c1-4-24-16-8-6-5-7-15(16)22-18(24)12-21-19(25)13-9-10-14(20)17(11-13)28(26,27)23(2)3/h5-11H,4,12H2,1-3H3,(H,21,25)
InChIKeyFPURLLKKINLGIJ-UHFFFAOYSA-N
XLogP2.89
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide
CID 18116771
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 55408980
3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
CID 18116770
3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17480323
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 71944245
6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 90650149
2-(2,6-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116699
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 18116740
N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007129
N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 35709594
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 55465334

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide (CID 55408900) is 4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide is CCn1c(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)nc2ccccc21.
What is the InChIKey of 4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is FPURLLKKINLGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3S/c1-4-24-16-8-6-5-7-15(16)22-18(24)12-21-19(25)13-9-10-14(20)17(11-13)28(26,27)23(2)3/h5-11H,4,12H2,1-3H3,(H,21,25).
What are the key properties of 4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide?
4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 420.92 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 55408900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).