2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide

C13H13Cl2NO4S2 — CID 5157003

IUPAC2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(Cl)sc2Cl)c(OC)c1
InChIInChI=1S/C13H13Cl2NO4S2/c1-19-9-4-3-8(10(5-9)20-2)7-16-22(17,18)11-6-12(14)21-13(11)15/h3-6,16H,7H2,1-2H3
InChIKeyCRBDRBPUEQWPLQ-UHFFFAOYSA-N
MW382.29 g/mol
LogP3.55
Rot. Bonds6

About 2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide

2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide (PubChem CID 5157003) has the molecular formula C13H13Cl2NO4S2 and a molecular weight of 382.29 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide
PubChem CID5157003
Molecular FormulaC13H13Cl2NO4S2
Molecular Weight382.29 g/mol
Exact Mass380.97
IUPAC Name2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(Cl)sc2Cl)c(OC)c1
InChIInChI=1S/C13H13Cl2NO4S2/c1-19-9-4-3-8(10(5-9)20-2)7-16-22(17,18)11-6-12(14)21-13(11)15/h3-6,16H,7H2,1-2H3
InChIKeyCRBDRBPUEQWPLQ-UHFFFAOYSA-N
XLogP3.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 94639909
N-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4657729
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 63258569
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide
CID 34111661
4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 63362655
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3,5-dimethoxybenzoic acid
CID 52863495
N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110780736
2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide
CID 5199198

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide (CID 5157003) is 2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide is COc1ccc(CNS(=O)(=O)c2cc(Cl)sc2Cl)c(OC)c1.
What is the InChIKey of 2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide?
The InChIKey is CRBDRBPUEQWPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO4S2/c1-19-9-4-3-8(10(5-9)20-2)7-16-22(17,18)11-6-12(14)21-13(11)15/h3-6,16H,7H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide has a molecular weight of 382.29 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 5157003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).