2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide

C18H19ClN4O3S — CID 68647103

IUPAC2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide
SMILESCCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(C(N)=O)cc21
InChIInChI=1S/C18H19ClN4O3S/c1-3-23-16-10-12(17(20)24)4-9-15(16)21-18(23)11(2)22-27(25,26)14-7-5-13(19)6-8-14/h4-11,22H,3H2,1-2H3,(H2,20,24)
InChIKeyNIDBRWXOPGDEFQ-UHFFFAOYSA-N
MW406.90 g/mol
LogP2.85
Rot. Bonds6

About 2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide

2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide (PubChem CID 68647103) has the molecular formula C18H19ClN4O3S and a molecular weight of 406.90 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide
PubChem CID68647103
Molecular FormulaC18H19ClN4O3S
Molecular Weight406.90 g/mol
Exact Mass406.09
IUPAC Name2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide
SMILESCCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(C(N)=O)cc21
InChIInChI=1S/C18H19ClN4O3S/c1-3-23-16-10-12(17(20)24)4-9-15(16)21-18(23)11(2)22-27(25,26)14-7-5-13(19)6-8-14/h4-11,22H,3H2,1-2H3,(H2,20,24)
InChIKeyNIDBRWXOPGDEFQ-UHFFFAOYSA-N
XLogP2.85
TPSA107.08 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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide (CID 68647103) is 2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide is CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(C(N)=O)cc21.
What is the InChIKey of 2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide?
The InChIKey is NIDBRWXOPGDEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3S/c1-3-23-16-10-12(17(20)24)4-9-15(16)21-18(23)11(2)22-27(25,26)14-7-5-13(19)6-8-14/h4-11,22H,3H2,1-2H3,(H2,20,24).
What are the key properties of 2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide?
2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide has a molecular weight of 406.90 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 68647103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).