5-chloro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide

C17H16ClNO3S3 — CID 26943739

IUPAC5-chloro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESCOc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H16ClNO3S3/c1-22-15-7-3-2-5-13(15)11-19(12-14-6-4-10-23-14)25(20,21)17-9-8-16(18)24-17/h2-10H,11-12H2,1H3
InChIKeyQXOCSHKSMCZSLL-UHFFFAOYSA-N
MW413.97 g/mol
LogP4.86
Rot. Bonds7

About 5-chloro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide

5-chloro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 26943739) has the molecular formula C17H16ClNO3S3 and a molecular weight of 413.97 g/mol. Its IUPAC name is 5-chloro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID26943739
Molecular FormulaC17H16ClNO3S3
Molecular Weight413.97 g/mol
Exact Mass413.00
IUPAC Name5-chloro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESCOc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H16ClNO3S3/c1-22-15-7-3-2-5-13(15)11-19(12-14-6-4-10-23-14)25(20,21)17-9-8-16(18)24-17/h2-10H,11-12H2,1H3
InChIKeyQXOCSHKSMCZSLL-UHFFFAOYSA-N
XLogP4.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.97
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 26943731
2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
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N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31481947
N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281
N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 112811372
2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 45298794
N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 134034593
N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 39793326
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61042679
N-[(2-methoxyphenyl)methyl]-2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 129255543
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (CID 26943739) is 5-chloro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is QXOCSHKSMCZSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3S3/c1-22-15-7-3-2-5-13(15)11-19(12-14-6-4-10-23-14)25(20,21)17-9-8-16(18)24-17/h2-10H,11-12H2,1H3.
What are the key properties of 5-chloro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
5-chloro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 413.97 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 26943739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).