5-chloro-N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]thiophene-2-sulfonamide

C18H15Cl2NO4S4 — CID 3507118

IUPAC5-chloro-N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(CCSc1ccccc1NS(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15Cl2NO4S4/c19-13-5-7-14(8-6-13)28(22,23)12-11-26-16-4-2-1-3-15(16)21-29(24,25)18-10-9-17(20)27-18/h1-10,21H,11-12H2
InChIKeyHHUUGDSVWBKUAT-UHFFFAOYSA-N
MW508.50 g/mol
LogP5.42
Rot. Bonds8

About 5-chloro-N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]thiophene-2-sulfonamide

5-chloro-N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]thiophene-2-sulfonamide (PubChem CID 3507118) has the molecular formula C18H15Cl2NO4S4 and a molecular weight of 508.50 g/mol. Its IUPAC name is 5-chloro-N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]thiophene-2-sulfonamide
PubChem CID3507118
Molecular FormulaC18H15Cl2NO4S4
Molecular Weight508.50 g/mol
Exact Mass506.93
IUPAC Name5-chloro-N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(CCSc1ccccc1NS(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15Cl2NO4S4/c19-13-5-7-14(8-6-13)28(22,23)12-11-26-16-4-2-1-3-15(16)21-29(24,25)18-10-9-17(20)27-18/h1-10,21H,11-12H2
InChIKeyHHUUGDSVWBKUAT-UHFFFAOYSA-N
XLogP5.42
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.50
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]-3-phenylurea
CID 2819515
N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 113271462
N-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide
CID 8025055
N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]-2-(hydroperoxymethyl)benzamide
CID 88849967
5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide
CID 43606054
5-chloro-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 19683573
4-[[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]carbamoyl]-3-sulfobenzoic acid
CID 88849962
5-chloro-N-(4-chloro-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81434366
4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2211474
5-chloro-N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 4729238
2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-methylaniline
CID 43302585
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100732919

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]thiophene-2-sulfonamide (CID 3507118) is 5-chloro-N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]thiophene-2-sulfonamide is O=S(=O)(CCSc1ccccc1NS(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is HHUUGDSVWBKUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO4S4/c19-13-5-7-14(8-6-13)28(22,23)12-11-26-16-4-2-1-3-15(16)21-29(24,25)18-10-9-17(20)27-18/h1-10,21H,11-12H2.
What are the key properties of 5-chloro-N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]thiophene-2-sulfonamide?
5-chloro-N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 508.50 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3507118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).