N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide

C11H9Cl2NO2S2 — CID 846308

IUPACN-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(Cl)cc1Cl)c1cccs1
InChIInChI=1S/C11H9Cl2NO2S2/c12-9-4-3-8(10(13)6-9)7-14-18(15,16)11-2-1-5-17-11/h1-6,14H,7H2
InChIKeyQBBUOJIPMSQENA-UHFFFAOYSA-N
MW322.24 g/mol
LogP3.53
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide

N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 846308) has the molecular formula C11H9Cl2NO2S2 and a molecular weight of 322.24 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide
PubChem CID846308
Molecular FormulaC11H9Cl2NO2S2
Molecular Weight322.24 g/mol
Exact Mass320.95
IUPAC NameN-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(Cl)cc1Cl)c1cccs1
InChIInChI=1S/C11H9Cl2NO2S2/c12-9-4-3-8(10(13)6-9)7-14-18(15,16)11-2-1-5-17-11/h1-6,14H,7H2
InChIKeyQBBUOJIPMSQENA-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylthiophene-2-sulfonamide
CID 765826
5-[(4-Chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 132819875
N-[(2-chloro-4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2536317
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 4788611
N-[2-(4-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 6470169
4-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]benzenesulfonamide
CID 141518719
5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide
CID 2098655
2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 3732014
2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 24818069
1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 834263
5-Chloro-thiophene-2-sulfonic acid 4-methyl-benzylamide
CID 893794
N-[(2,4-dichlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide
CID 2968432

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide (CID 846308) is N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccc(Cl)cc1Cl)c1cccs1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is QBBUOJIPMSQENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2S2/c12-9-4-3-8(10(13)6-9)7-14-18(15,16)11-2-1-5-17-11/h1-6,14H,7H2.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide?
N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 322.24 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 846308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).