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

C17H18ClN3O2S — CID 59177019

IUPAC4-chloro-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C17H18ClN3O2S/c1-3-21-16-7-5-4-6-15(16)19-17(21)12(2)20-24(22,23)14-10-8-13(18)9-11-14/h4-12,20H,3H2,1-2H3/t12-/m1/s1
InChIKeyQTSVWTOOIVCRTC-GFCCVEGCSA-N
MW363.87 g/mol
LogP3.75
Rot. Bonds5

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

4-chloro-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 59177019) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide
PubChem CID59177019
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC Name4-chloro-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C17H18ClN3O2S/c1-3-21-16-7-5-4-6-15(16)19-17(21)12(2)20-24(22,23)14-10-8-13(18)9-11-14/h4-12,20H,3H2,1-2H3/t12-/m1/s1
InChIKeyQTSVWTOOIVCRTC-GFCCVEGCSA-N
XLogP3.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide (CID 59177019) is 4-chloro-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide is CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 4-chloro-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is QTSVWTOOIVCRTC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-3-21-16-7-5-4-6-15(16)19-17(21)12(2)20-24(22,23)14-10-8-13(18)9-11-14/h4-12,20H,3H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide?
4-chloro-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 363.87 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 59177019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).