N-(1-benzothiophen-2-yl)-N-(cyclohexylmethyl)benzenesulfonamide

C21H23NO2S2 — CID 66907471

IUPACN-(1-benzothiophen-2-yl)-N-(cyclohexylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC1CCCCC1)c1cc2ccccc2s1
InChIInChI=1S/C21H23NO2S2/c23-26(24,19-12-5-2-6-13-19)22(16-17-9-3-1-4-10-17)21-15-18-11-7-8-14-20(18)25-21/h2,5-8,11-15,17H,1,3-4,9-10,16H2
InChIKeyMXEXXMVRRBVRJL-UHFFFAOYSA-N
MW385.55 g/mol
LogP5.68
Rot. Bonds5

About N-(1-benzothiophen-2-yl)-N-(cyclohexylmethyl)benzenesulfonamide

N-(1-benzothiophen-2-yl)-N-(cyclohexylmethyl)benzenesulfonamide (PubChem CID 66907471) has the molecular formula C21H23NO2S2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-N-(cyclohexylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)-N-(cyclohexylmethyl)benzenesulfonamide
PubChem CID66907471
Molecular FormulaC21H23NO2S2
Molecular Weight385.55 g/mol
Exact Mass385.12
IUPAC NameN-(1-benzothiophen-2-yl)-N-(cyclohexylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC1CCCCC1)c1cc2ccccc2s1
InChIInChI=1S/C21H23NO2S2/c23-26(24,19-12-5-2-6-13-19)22(16-17-9-3-1-4-10-17)21-15-18-11-7-8-14-20(18)25-21/h2,5-8,11-15,17H,1,3-4,9-10,16H2
InChIKeyMXEXXMVRRBVRJL-UHFFFAOYSA-N
XLogP5.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-yl)-N-(cyclohexylmethyl)benzenesulfonamide?
The IUPAC name of N-(1-benzothiophen-2-yl)-N-(cyclohexylmethyl)benzenesulfonamide (CID 66907471) is N-(1-benzothiophen-2-yl)-N-(cyclohexylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-N-(cyclohexylmethyl)benzenesulfonamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)-N-(cyclohexylmethyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(CC1CCCCC1)c1cc2ccccc2s1.
What is the InChIKey of N-(1-benzothiophen-2-yl)-N-(cyclohexylmethyl)benzenesulfonamide?
The InChIKey is MXEXXMVRRBVRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2S2/c23-26(24,19-12-5-2-6-13-19)22(16-17-9-3-1-4-10-17)21-15-18-11-7-8-14-20(18)25-21/h2,5-8,11-15,17H,1,3-4,9-10,16H2.
What are the key properties of N-(1-benzothiophen-2-yl)-N-(cyclohexylmethyl)benzenesulfonamide?
N-(1-benzothiophen-2-yl)-N-(cyclohexylmethyl)benzenesulfonamide has a molecular weight of 385.55 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-yl)-N-(cyclohexylmethyl)benzenesulfonamide is sourced from PubChem (CID 66907471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).