4-chloro-N-[(1R)-1-(1-ethyl-6-methoxybenzimidazol-2-yl)ethyl]benzenesulfonamide

C18H20ClN3O3S — CID 122186560

IUPAC4-chloro-N-[(1R)-1-(1-ethyl-6-methoxybenzimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(OC)cc21
InChIInChI=1S/C18H20ClN3O3S/c1-4-22-17-11-14(25-3)7-10-16(17)20-18(22)12(2)21-26(23,24)15-8-5-13(19)6-9-15/h5-12,21H,4H2,1-3H3/t12-/m1/s1
InChIKeySCBYFKBIGNLXLQ-GFCCVEGCSA-N
MW393.90 g/mol
LogP3.76
Rot. Bonds6

About 4-chloro-N-[(1R)-1-(1-ethyl-6-methoxybenzimidazol-2-yl)ethyl]benzenesulfonamide

4-chloro-N-[(1R)-1-(1-ethyl-6-methoxybenzimidazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 122186560) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-(1-ethyl-6-methoxybenzimidazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-(1-ethyl-6-methoxybenzimidazol-2-yl)ethyl]benzenesulfonamide
PubChem CID122186560
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name4-chloro-N-[(1R)-1-(1-ethyl-6-methoxybenzimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(OC)cc21
InChIInChI=1S/C18H20ClN3O3S/c1-4-22-17-11-14(25-3)7-10-16(17)20-18(22)12(2)21-26(23,24)15-8-5-13(19)6-9-15/h5-12,21H,4H2,1-3H3/t12-/m1/s1
InChIKeySCBYFKBIGNLXLQ-GFCCVEGCSA-N
XLogP3.76
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-(1-ethyl-6-methoxybenzimidazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1R)-1-(1-ethyl-6-methoxybenzimidazol-2-yl)ethyl]benzenesulfonamide (CID 122186560) is 4-chloro-N-[(1R)-1-(1-ethyl-6-methoxybenzimidazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-(1-ethyl-6-methoxybenzimidazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-(1-ethyl-6-methoxybenzimidazol-2-yl)ethyl]benzenesulfonamide is CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(OC)cc21.
What is the InChIKey of 4-chloro-N-[(1R)-1-(1-ethyl-6-methoxybenzimidazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is SCBYFKBIGNLXLQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-4-22-17-11-14(25-3)7-10-16(17)20-18(22)12(2)21-26(23,24)15-8-5-13(19)6-9-15/h5-12,21H,4H2,1-3H3/t12-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-(1-ethyl-6-methoxybenzimidazol-2-yl)ethyl]benzenesulfonamide?
4-chloro-N-[(1R)-1-(1-ethyl-6-methoxybenzimidazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 393.90 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-(1-ethyl-6-methoxybenzimidazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 122186560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).