2-[2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-(dimethylamino)anilino]-N,N-diethylacetamide

C22H30ClN3O5S — CID 24760747

IUPAC2-[2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-(dimethylamino)anilino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1cc(N(C)C)ccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H30ClN3O5S/c1-7-25(8-2)22(27)15-26(19-13-16(24(3)4)9-11-18(19)23)32(28,29)17-10-12-20(30-5)21(14-17)31-6/h9-14H,7-8,15H2,1-6H3
InChIKeyCXSYEHJQXBPDDT-UHFFFAOYSA-N
MW484.02 g/mol
LogP3.49
Rot. Bonds10

About 2-[2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-(dimethylamino)anilino]-N,N-diethylacetamide

2-[2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-(dimethylamino)anilino]-N,N-diethylacetamide (PubChem CID 24760747) has the molecular formula C22H30ClN3O5S and a molecular weight of 484.02 g/mol. Its IUPAC name is 2-[2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-(dimethylamino)anilino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-(dimethylamino)anilino]-N,N-diethylacetamide
PubChem CID24760747
Molecular FormulaC22H30ClN3O5S
Molecular Weight484.02 g/mol
Exact Mass483.16
IUPAC Name2-[2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-(dimethylamino)anilino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1cc(N(C)C)ccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H30ClN3O5S/c1-7-25(8-2)22(27)15-26(19-13-16(24(3)4)9-11-18(19)23)32(28,29)17-10-12-20(30-5)21(14-17)31-6/h9-14H,7-8,15H2,1-6H3
InChIKeyCXSYEHJQXBPDDT-UHFFFAOYSA-N
XLogP3.49
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.02
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-(dimethylamino)anilino]-N,N-diethylacetamide?
The IUPAC name of 2-[2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-(dimethylamino)anilino]-N,N-diethylacetamide (CID 24760747) is 2-[2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-(dimethylamino)anilino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-(dimethylamino)anilino]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-(dimethylamino)anilino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(c1cc(N(C)C)ccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-(dimethylamino)anilino]-N,N-diethylacetamide?
The InChIKey is CXSYEHJQXBPDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O5S/c1-7-25(8-2)22(27)15-26(19-13-16(24(3)4)9-11-18(19)23)32(28,29)17-10-12-20(30-5)21(14-17)31-6/h9-14H,7-8,15H2,1-6H3.
What are the key properties of 2-[2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-(dimethylamino)anilino]-N,N-diethylacetamide?
2-[2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-(dimethylamino)anilino]-N,N-diethylacetamide has a molecular weight of 484.02 g/mol, XLogP of 3.49, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-(dimethylamino)anilino]-N,N-diethylacetamide is sourced from PubChem (CID 24760747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).