6-chloro-N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide

C17H24ClN5O3S — CID 10476858

IUPAC6-chloro-N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide
SMILESCS(=O)(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
InChIInChI=1S/C17H24ClN5O3S/c1-27(25,26)22-4-7-23-5-2-12(3-6-23)10-19-17(24)14-8-13(18)9-15-16(14)21-11-20-15/h8-9,11-12,22H,2-7,10H2,1H3,(H,19,24)(H,20,21)
InChIKeyNOTWSLMYRHSVGO-UHFFFAOYSA-N
MW413.93 g/mol
LogP1.21
Rot. Bonds7

About 6-chloro-N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide

6-chloro-N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide (PubChem CID 10476858) has the molecular formula C17H24ClN5O3S and a molecular weight of 413.93 g/mol. Its IUPAC name is 6-chloro-N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide
PubChem CID10476858
Molecular FormulaC17H24ClN5O3S
Molecular Weight413.93 g/mol
Exact Mass413.13
IUPAC Name6-chloro-N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide
SMILESCS(=O)(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
InChIInChI=1S/C17H24ClN5O3S/c1-27(25,26)22-4-7-23-5-2-12(3-6-23)10-19-17(24)14-8-13(18)9-15-16(14)21-11-20-15/h8-9,11-12,22H,2-7,10H2,1H3,(H,19,24)(H,20,21)
InChIKeyNOTWSLMYRHSVGO-UHFFFAOYSA-N
XLogP1.21
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-chloro-N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide (CID 10476858) is 6-chloro-N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-chloro-N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide is CS(=O)(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc3[nH]cnc23)CC1.
What is the InChIKey of 6-chloro-N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is NOTWSLMYRHSVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5O3S/c1-27(25,26)22-4-7-23-5-2-12(3-6-23)10-19-17(24)14-8-13(18)9-15-16(14)21-11-20-15/h8-9,11-12,22H,2-7,10H2,1H3,(H,19,24)(H,20,21).
What are the key properties of 6-chloro-N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide?
6-chloro-N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 413.93 g/mol, XLogP of 1.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 10476858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).