N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]cyclopropanesulfonamide

C18H16ClNO2S2 — CID 127039286

IUPACN-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]cyclopropanesulfonamide
SMILESO=S(=O)(N[C@@H](c1cc2ccccc2s1)c1ccccc1Cl)C1CC1
InChIInChI=1S/C18H16ClNO2S2/c19-15-7-3-2-6-14(15)18(20-24(21,22)13-9-10-13)17-11-12-5-1-4-8-16(12)23-17/h1-8,11,13,18,20H,9-10H2/t18-/m1/s1
InChIKeyIISHLQHSFRXAQC-GOSISDBHSA-N
MW377.92 g/mol
LogP4.73
Rot. Bonds5

About N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]cyclopropanesulfonamide

N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]cyclopropanesulfonamide (PubChem CID 127039286) has the molecular formula C18H16ClNO2S2 and a molecular weight of 377.92 g/mol. Its IUPAC name is N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]cyclopropanesulfonamide
PubChem CID127039286
Molecular FormulaC18H16ClNO2S2
Molecular Weight377.92 g/mol
Exact Mass377.03
IUPAC NameN-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]cyclopropanesulfonamide
SMILESO=S(=O)(N[C@@H](c1cc2ccccc2s1)c1ccccc1Cl)C1CC1
InChIInChI=1S/C18H16ClNO2S2/c19-15-7-3-2-6-14(15)18(20-24(21,22)13-9-10-13)17-11-12-5-1-4-8-16(12)23-17/h1-8,11,13,18,20H,9-10H2/t18-/m1/s1
InChIKeyIISHLQHSFRXAQC-GOSISDBHSA-N
XLogP4.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]cyclopropanesulfonamide?
The IUPAC name of N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]cyclopropanesulfonamide (CID 127039286) is N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]cyclopropanesulfonamide is O=S(=O)(N[C@@H](c1cc2ccccc2s1)c1ccccc1Cl)C1CC1.
What is the InChIKey of N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]cyclopropanesulfonamide?
The InChIKey is IISHLQHSFRXAQC-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16ClNO2S2/c19-15-7-3-2-6-14(15)18(20-24(21,22)13-9-10-13)17-11-12-5-1-4-8-16(12)23-17/h1-8,11,13,18,20H,9-10H2/t18-/m1/s1.
What are the key properties of N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]cyclopropanesulfonamide?
N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]cyclopropanesulfonamide has a molecular weight of 377.92 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]cyclopropanesulfonamide is sourced from PubChem (CID 127039286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).