5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide

C14H16ClNO3S2 — CID 119046080

IUPAC5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide
SMILESCOCc1ccc(CNS(=O)(=O)c2cc(C)c(Cl)s2)cc1
InChIInChI=1S/C14H16ClNO3S2/c1-10-7-13(20-14(10)15)21(17,18)16-8-11-3-5-12(6-4-11)9-19-2/h3-7,16H,8-9H2,1-2H3
InChIKeyVVESBPZHBDAJDB-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.33
Rot. Bonds6

About 5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide

5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide (PubChem CID 119046080) has the molecular formula C14H16ClNO3S2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide
PubChem CID119046080
Molecular FormulaC14H16ClNO3S2
Molecular Weight345.87 g/mol
Exact Mass345.03
IUPAC Name5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide
SMILESCOCc1ccc(CNS(=O)(=O)c2cc(C)c(Cl)s2)cc1
InChIInChI=1S/C14H16ClNO3S2/c1-10-7-13(20-14(10)15)21(17,18)16-8-11-3-5-12(6-4-11)9-19-2/h3-7,16H,8-9H2,1-2H3
InChIKeyVVESBPZHBDAJDB-UHFFFAOYSA-N
XLogP3.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 146421787
5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide
CID 103100525
N-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099528
2-chloro-N-[[4-(methoxymethyl)phenyl]methyl]benzenesulfonamide
CID 34263580
5-chloro-N-[(4-methoxyphenyl)methyl]-4-nitrothiophene-2-sulfonamide
CID 146421957
5-[(4-hydroxyphenyl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 114331333
5-chloro-4-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 103100386
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide
CID 103100630
5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide
CID 107232063
N-(4-bromobutyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 106846774
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 103099583
N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
CID 120711958

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide (CID 119046080) is 5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide is COCc1ccc(CNS(=O)(=O)c2cc(C)c(Cl)s2)cc1.
What is the InChIKey of 5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is VVESBPZHBDAJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3S2/c1-10-7-13(20-14(10)15)21(17,18)16-8-11-3-5-12(6-4-11)9-19-2/h3-7,16H,8-9H2,1-2H3.
What are the key properties of 5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide?
5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 345.87 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 119046080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).