4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide

C18H19ClN4O3S — CID 24628743

IUPAC4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide
SMILESCCCn1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC)c2)nc2ccccc21
InChIInChI=1S/C18H19ClN4O3S/c1-3-10-23-15-7-5-4-6-14(15)21-18(23)22-17(24)12-8-9-13(19)16(11-12)27(25,26)20-2/h4-9,11,20H,3,10H2,1-2H3,(H,21,22,24)
InChIKeyGWPDPQROCLOKAP-UHFFFAOYSA-N
MW406.90 g/mol
LogP3.26
Rot. Bonds6

About 4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide

4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide (PubChem CID 24628743) has the molecular formula C18H19ClN4O3S and a molecular weight of 406.90 g/mol. Its IUPAC name is 4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide
PubChem CID24628743
Molecular FormulaC18H19ClN4O3S
Molecular Weight406.90 g/mol
Exact Mass406.09
IUPAC Name4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide
SMILESCCCn1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC)c2)nc2ccccc21
InChIInChI=1S/C18H19ClN4O3S/c1-3-10-23-15-7-5-4-6-14(15)21-18(23)22-17(24)12-8-9-13(19)16(11-12)27(25,26)20-2/h4-9,11,20H,3,10H2,1-2H3,(H,21,22,24)
InChIKeyGWPDPQROCLOKAP-UHFFFAOYSA-N
XLogP3.26
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.90
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide
CID 7408843
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 35535185
1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide
CID 4879642
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide
CID 24601105
N-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide
CID 68789371
4-chloro-N-methyl-3-(methylsulfamoyl)benzamide
CID 19394
2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 40589359
5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide
CID 167887433
5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 31510194

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide?
The IUPAC name of 4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide (CID 24628743) is 4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide is CCCn1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC)c2)nc2ccccc21.
What is the InChIKey of 4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide?
The InChIKey is GWPDPQROCLOKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3S/c1-3-10-23-15-7-5-4-6-14(15)21-18(23)22-17(24)12-8-9-13(19)16(11-12)27(25,26)20-2/h4-9,11,20H,3,10H2,1-2H3,(H,21,22,24).
What are the key properties of 4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide?
4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide has a molecular weight of 406.90 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 24628743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).