N-(1-benzothiophen-2-yl)-N-cyclohexylbenzenesulfonamide

C20H21NO2S2 — CID 66907692

IUPACN-(1-benzothiophen-2-yl)-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1cc2ccccc2s1)C1CCCCC1
InChIInChI=1S/C20H21NO2S2/c22-25(23,18-12-5-2-6-13-18)21(17-10-3-1-4-11-17)20-15-16-9-7-8-14-19(16)24-20/h2,5-9,12-15,17H,1,3-4,10-11H2
InChIKeyRSQTVEFSQGKSIP-UHFFFAOYSA-N
MW371.53 g/mol
LogP5.43
Rot. Bonds4

About N-(1-benzothiophen-2-yl)-N-cyclohexylbenzenesulfonamide

N-(1-benzothiophen-2-yl)-N-cyclohexylbenzenesulfonamide (PubChem CID 66907692) has the molecular formula C20H21NO2S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)-N-cyclohexylbenzenesulfonamide
PubChem CID66907692
Molecular FormulaC20H21NO2S2
Molecular Weight371.53 g/mol
Exact Mass371.10
IUPAC NameN-(1-benzothiophen-2-yl)-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1cc2ccccc2s1)C1CCCCC1
InChIInChI=1S/C20H21NO2S2/c22-25(23,18-12-5-2-6-13-18)21(17-10-3-1-4-11-17)20-15-16-9-7-8-14-19(16)24-20/h2,5-9,12-15,17H,1,3-4,10-11H2
InChIKeyRSQTVEFSQGKSIP-UHFFFAOYSA-N
XLogP5.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.53
LogP ≤ 55.43
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-cyclohexylbenzenesulfonamide?
The IUPAC name of N-(1-benzothiophen-2-yl)-N-cyclohexylbenzenesulfonamide (CID 66907692) is N-(1-benzothiophen-2-yl)-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)-N-cyclohexylbenzenesulfonamide is O=S(=O)(c1ccccc1)N(c1cc2ccccc2s1)C1CCCCC1.
What is the InChIKey of N-(1-benzothiophen-2-yl)-N-cyclohexylbenzenesulfonamide?
The InChIKey is RSQTVEFSQGKSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S2/c22-25(23,18-12-5-2-6-13-18)21(17-10-3-1-4-11-17)20-15-16-9-7-8-14-19(16)24-20/h2,5-9,12-15,17H,1,3-4,10-11H2.
What are the key properties of N-(1-benzothiophen-2-yl)-N-cyclohexylbenzenesulfonamide?
N-(1-benzothiophen-2-yl)-N-cyclohexylbenzenesulfonamide has a molecular weight of 371.53 g/mol, XLogP of 5.43, 4 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-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 66907692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).