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

Analyze N-(1-benzothiophen-2-yl)-N-(cyclohexylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-adamantylmethyl)-N-(3-bromo-1-benzothiophen-2-yl)benzenesulfonamide
CID 66907104
4-amino-N-(1-benzothiophen-2-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 57920372
N-(3-chloro-1-benzothiophen-2-yl)-N-(cyclohexylmethyl)benzenesulfonamide
CID 57920399
N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]benzenesulfonamide
CID 57920413
N-(3-bromo-1-benzothiophen-2-yl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57920442
N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide
CID 57920465
N-(1-benzothiophen-2-yl)-N-butyl-4-morpholin-4-ylbenzenesulfonamide
CID 57920469
N-(1-benzothiophen-2-yl)-N-(2-cyclopropylethyl)-4-(dimethylamino)benzenesulfonamide
CID 57920477
N-(1-benzothiophen-2-yl)-4-(methanesulfonamido)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 57920503
N-(1-benzothiophen-2-yl)-N-(2-cyclopropylethyl)-4-(methylamino)benzenesulfonamide
CID 57920523
N-(3-bromo-1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]benzenesulfonamide
CID 57920529
N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]ethanesulfonamide
CID 57920541

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).