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

C21H16ClNO2S2 — CID 127039285

IUPACN-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H](c1cc2ccccc2s1)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C21H16ClNO2S2/c22-18-12-6-5-11-17(18)21(20-14-15-8-4-7-13-19(15)26-20)23-27(24,25)16-9-2-1-3-10-16/h1-14,21,23H/t21-/m1/s1
InChIKeyASFRIKCYGNKBCF-OAQYLSRUSA-N
MW413.95 g/mol
LogP5.62
Rot. Bonds5

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

N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]benzenesulfonamide (PubChem CID 127039285) has the molecular formula C21H16ClNO2S2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]benzenesulfonamide
PubChem CID127039285
Molecular FormulaC21H16ClNO2S2
Molecular Weight413.95 g/mol
Exact Mass413.03
IUPAC NameN-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H](c1cc2ccccc2s1)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C21H16ClNO2S2/c22-18-12-6-5-11-17(18)21(20-14-15-8-4-7-13-19(15)26-20)23-27(24,25)16-9-2-1-3-10-16/h1-14,21,23H/t21-/m1/s1
InChIKeyASFRIKCYGNKBCF-OAQYLSRUSA-N
XLogP5.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.95
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonyl)-N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide
CID 2811648
N-(1-benzothiophen-3-ylmethyl)-4-chlorobenzenesulfonamide
CID 141518718
N-(1-benzothiophen-2-ylmethyl)-4-chlorobenzenesulfonamide
CID 141518721
N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]cyclopropanesulfonamide
CID 127039286
4-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide
CID 2811647
1-(2-chlorophenyl)-N-(2-(thiophen-3-yl)benzyl)methanesulfonamide
CID 71809985
5-chloro-3-methyl-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-sulfonamide
CID 2738733
N-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 2811653
N-[(2-chlorophenyl)-(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 71889829
N-[(S)-(2-chlorophenyl)-(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 97013955
5-chloro-N-[(4-fluorophenyl)methyl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 23654701
N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-4-fluorobenzenesulfonamide
CID 58287474

Frequently Asked Questions

What is the IUPAC name of N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]benzenesulfonamide (CID 127039285) is N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]benzenesulfonamide is O=S(=O)(N[C@@H](c1cc2ccccc2s1)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]benzenesulfonamide?
The InChIKey is ASFRIKCYGNKBCF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H16ClNO2S2/c22-18-12-6-5-11-17(18)21(20-14-15-8-4-7-13-19(15)26-20)23-27(24,25)16-9-2-1-3-10-16/h1-14,21,23H/t21-/m1/s1.
What are the key properties of N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]benzenesulfonamide?
N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]benzenesulfonamide has a molecular weight of 413.95 g/mol, XLogP of 5.62, 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]benzenesulfonamide is sourced from PubChem (CID 127039285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).