5-chloro-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide

C12H12ClNO2S2 — CID 893794

IUPAC5-chloro-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H12ClNO2S2/c1-9-2-4-10(5-3-9)8-14-18(15,16)12-7-6-11(13)17-12/h2-7,14H,8H2,1H3
InChIKeyRTNXEFCBLUZJJB-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.19
Rot. Bonds4

About 5-chloro-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide

5-chloro-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 893794) has the molecular formula C12H12ClNO2S2 and a molecular weight of 301.82 g/mol. Its IUPAC name is 5-chloro-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
PubChem CID893794
Molecular FormulaC12H12ClNO2S2
Molecular Weight301.82 g/mol
Exact Mass301.00
IUPAC Name5-chloro-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H12ClNO2S2/c1-9-2-4-10(5-3-9)8-14-18(15,16)12-7-6-11(13)17-12/h2-7,14H,8H2,1H3
InChIKeyRTNXEFCBLUZJJB-UHFFFAOYSA-N
XLogP3.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide
CID 444607
N-benzylthiophene-2-sulfonamide
CID 765826
N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide
CID 846308
5-methyl-N-(4-methylbenzyl)thiophene-2-sulfonamide
CID 2148031
N-[(2-chloro-4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2536317
N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide
CID 4768760
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
N-benzyl-5-methyl-2-thiophenesulfonamide
CID 2241007
2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 3732014

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide (CID 893794) is 5-chloro-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 5-chloro-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is RTNXEFCBLUZJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S2/c1-9-2-4-10(5-3-9)8-14-18(15,16)12-7-6-11(13)17-12/h2-7,14H,8H2,1H3.
What are the key properties of 5-chloro-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide?
5-chloro-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 301.82 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 893794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).