N-[2-(1-benzothiophen-2-ylsulfinylamino)phenyl]-4-chlorobenzenesulfonamide

C20H15ClN2O3S3 — CID 70326522

IUPACN-[2-(1-benzothiophen-2-ylsulfinylamino)phenyl]-4-chlorobenzenesulfonamide
SMILESO=S(Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)c1cc2ccccc2s1
InChIInChI=1S/C20H15ClN2O3S3/c21-15-9-11-16(12-10-15)29(25,26)23-18-7-3-2-6-17(18)22-28(24)20-13-14-5-1-4-8-19(14)27-20/h1-13,22-23H
InChIKeyFURFJJKWFLRIAT-UHFFFAOYSA-N
MW463.01 g/mol
LogP5.49
Rot. Bonds6

About N-[2-(1-benzothiophen-2-ylsulfinylamino)phenyl]-4-chlorobenzenesulfonamide

N-[2-(1-benzothiophen-2-ylsulfinylamino)phenyl]-4-chlorobenzenesulfonamide (PubChem CID 70326522) has the molecular formula C20H15ClN2O3S3 and a molecular weight of 463.01 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-ylsulfinylamino)phenyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-ylsulfinylamino)phenyl]-4-chlorobenzenesulfonamide
PubChem CID70326522
Molecular FormulaC20H15ClN2O3S3
Molecular Weight463.01 g/mol
Exact Mass461.99
IUPAC NameN-[2-(1-benzothiophen-2-ylsulfinylamino)phenyl]-4-chlorobenzenesulfonamide
SMILESO=S(Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)c1cc2ccccc2s1
InChIInChI=1S/C20H15ClN2O3S3/c21-15-9-11-16(12-10-15)29(25,26)23-18-7-3-2-6-17(18)22-28(24)20-13-14-5-1-4-8-19(14)27-20/h1-13,22-23H
InChIKeyFURFJJKWFLRIAT-UHFFFAOYSA-N
XLogP5.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.01
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55911688
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121041109
N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonylamino]benzenecarboximidate
CID 2331914
1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615674
N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chlorobenzenesulfonamide
CID 15865923
4-chloro-N-(3-chloro-2-hydroxyphenyl)benzenesulfonamide
CID 78995718
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
3-chloro-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 3464007
4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2211474
N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-bromophenyl]-1-benzothiophene-2-sulfonamide
CID 11505180
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chlorobenzenesulfonamide
CID 1255601

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-ylsulfinylamino)phenyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[2-(1-benzothiophen-2-ylsulfinylamino)phenyl]-4-chlorobenzenesulfonamide (CID 70326522) is N-[2-(1-benzothiophen-2-ylsulfinylamino)phenyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-ylsulfinylamino)phenyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-ylsulfinylamino)phenyl]-4-chlorobenzenesulfonamide is O=S(Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(1-benzothiophen-2-ylsulfinylamino)phenyl]-4-chlorobenzenesulfonamide?
The InChIKey is FURFJJKWFLRIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3S3/c21-15-9-11-16(12-10-15)29(25,26)23-18-7-3-2-6-17(18)22-28(24)20-13-14-5-1-4-8-19(14)27-20/h1-13,22-23H.
What are the key properties of N-[2-(1-benzothiophen-2-ylsulfinylamino)phenyl]-4-chlorobenzenesulfonamide?
N-[2-(1-benzothiophen-2-ylsulfinylamino)phenyl]-4-chlorobenzenesulfonamide has a molecular weight of 463.01 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-2-ylsulfinylamino)phenyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 70326522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).