N-[1-[1-ethyl-6-(hydroxymethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide

C18H21N3O3S — CID 68810030

IUPACN-[1-[1-ethyl-6-(hydroxymethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
SMILESCCn1c(C(C)NS(=O)(=O)c2ccccc2)nc2ccc(CO)cc21
InChIInChI=1S/C18H21N3O3S/c1-3-21-17-11-14(12-22)9-10-16(17)19-18(21)13(2)20-25(23,24)15-7-5-4-6-8-15/h4-11,13,20,22H,3,12H2,1-2H3
InChIKeyLUYPDUVEZJDYBQ-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.59
Rot. Bonds6

About N-[1-[1-ethyl-6-(hydroxymethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide

N-[1-[1-ethyl-6-(hydroxymethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide (PubChem CID 68810030) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[1-[1-ethyl-6-(hydroxymethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[1-ethyl-6-(hydroxymethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
PubChem CID68810030
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[1-[1-ethyl-6-(hydroxymethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
SMILESCCn1c(C(C)NS(=O)(=O)c2ccccc2)nc2ccc(CO)cc21
InChIInChI=1S/C18H21N3O3S/c1-3-21-17-11-14(12-22)9-10-16(17)19-18(21)13(2)20-25(23,24)15-7-5-4-6-8-15/h4-11,13,20,22H,3,12H2,1-2H3
InChIKeyLUYPDUVEZJDYBQ-UHFFFAOYSA-N
XLogP2.59
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-(6-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177181
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-fluorobenzenesulfonamide
CID 59177065
3-chloro-N-[1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
CID 72535695
4-amino-N-[1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
CID 68647024
2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide
CID 68647103
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-2,6-dimethylpyridine-4-sulfonamide
CID 24985571
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-1-oxidopyridin-1-ium-4-sulfonamide
CID 59177112
3-amino-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-fluorobenzenesulfonamide
CID 89272255
5-bromo-6-chloro-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]pyridine-3-sulfonamide
CID 59177139
4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide
CID 143667876
N-[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 72535614
4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
CID 91059115

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-ethyl-6-(hydroxymethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of N-[1-[1-ethyl-6-(hydroxymethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide (CID 68810030) is N-[1-[1-ethyl-6-(hydroxymethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[1-[1-ethyl-6-(hydroxymethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[1-[1-ethyl-6-(hydroxymethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide is CCn1c(C(C)NS(=O)(=O)c2ccccc2)nc2ccc(CO)cc21.
What is the InChIKey of N-[1-[1-ethyl-6-(hydroxymethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide?
The InChIKey is LUYPDUVEZJDYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-3-21-17-11-14(12-22)9-10-16(17)19-18(21)13(2)20-25(23,24)15-7-5-4-6-8-15/h4-11,13,20,22H,3,12H2,1-2H3.
What are the key properties of N-[1-[1-ethyl-6-(hydroxymethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide?
N-[1-[1-ethyl-6-(hydroxymethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-ethyl-6-(hydroxymethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 68810030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).