N-(1-benzothiophen-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide

C21H23NO2S2 — CID 166448729

IUPACN-(1-benzothiophen-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2cc3ccccc3s2)C2CCCCC2)cc1
InChIInChI=1S/C21H23NO2S2/c1-16-11-13-19(14-12-16)26(23,24)22(18-8-3-2-4-9-18)21-15-17-7-5-6-10-20(17)25-21/h5-7,10-15,18H,2-4,8-9H2,1H3
InChIKeyNSMFUQRDOKKJAD-UHFFFAOYSA-N
MW385.55 g/mol
LogP5.74
Rot. Bonds4

About N-(1-benzothiophen-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide

N-(1-benzothiophen-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide (PubChem CID 166448729) has the molecular formula C21H23NO2S2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide
PubChem CID166448729
Molecular FormulaC21H23NO2S2
Molecular Weight385.55 g/mol
Exact Mass385.12
IUPAC NameN-(1-benzothiophen-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2cc3ccccc3s2)C2CCCCC2)cc1
InChIInChI=1S/C21H23NO2S2/c1-16-11-13-19(14-12-16)26(23,24)22(18-8-3-2-4-9-18)21-15-17-7-5-6-10-20(17)25-21/h5-7,10-15,18H,2-4,8-9H2,1H3
InChIKeyNSMFUQRDOKKJAD-UHFFFAOYSA-N
XLogP5.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 55.74
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-cyclohexyl-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-benzothiophen-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide (CID 166448729) is N-(1-benzothiophen-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2cc3ccccc3s2)C2CCCCC2)cc1.
What is the InChIKey of N-(1-benzothiophen-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide?
The InChIKey is NSMFUQRDOKKJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2S2/c1-16-11-13-19(14-12-16)26(23,24)22(18-8-3-2-4-9-18)21-15-17-7-5-6-10-20(17)25-21/h5-7,10-15,18H,2-4,8-9H2,1H3.
What are the key properties of N-(1-benzothiophen-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide?
N-(1-benzothiophen-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide has a molecular weight of 385.55 g/mol, XLogP of 5.74, 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-cyclohexyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 166448729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).