2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide

C11H9Cl2NO4S3 — CID 18289175

IUPAC2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide
SMILESCS(=O)(=O)c1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C11H9Cl2NO4S3/c1-20(15,16)8-4-2-3-7(5-8)14-21(17,18)9-6-10(12)19-11(9)13/h2-6,14H,1H3
InChIKeySXZWJCSJGVCMEU-UHFFFAOYSA-N
MW386.30 g/mol
LogP3.26
Rot. Bonds4

About 2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide

2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide (PubChem CID 18289175) has the molecular formula C11H9Cl2NO4S3 and a molecular weight of 386.30 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide
PubChem CID18289175
Molecular FormulaC11H9Cl2NO4S3
Molecular Weight386.30 g/mol
Exact Mass384.91
IUPAC Name2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide
SMILESCS(=O)(=O)c1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C11H9Cl2NO4S3/c1-20(15,16)8-4-2-3-7(5-8)14-21(17,18)9-6-10(12)19-11(9)13/h2-6,14H,1H3
InChIKeySXZWJCSJGVCMEU-UHFFFAOYSA-N
XLogP3.26
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 24656569
2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 65345578
N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide
CID 3600344
N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604417
N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167106
2,5-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-sulfonamide
CID 26268476
2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide
CID 64781655
N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604989
4-chloro-N-(3-methylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 8842745
2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
CID 70138974
2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide
CID 65030855
N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide
CID 29099572

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide (CID 18289175) is 2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide is CS(=O)(=O)c1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of 2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide?
The InChIKey is SXZWJCSJGVCMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO4S3/c1-20(15,16)8-4-2-3-7(5-8)14-21(17,18)9-6-10(12)19-11(9)13/h2-6,14H,1H3.
What are the key properties of 2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide has a molecular weight of 386.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 18289175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).