2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C19H22ClN3O5S2 — CID 17312955

IUPAC2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1Cl
InChIInChI=1S/C19H22ClN3O5S2/c1-29(25,26)23(18-7-3-2-6-17(18)20)14-19(24)21-15-8-10-16(11-9-15)30(27,28)22-12-4-5-13-22/h2-3,6-11H,4-5,12-14H2,1H3,(H,21,24)
InChIKeySGVBLULWFVNQMP-UHFFFAOYSA-N
MW471.99 g/mol
LogP2.53
Rot. Bonds7

About 2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 17312955) has the molecular formula C19H22ClN3O5S2 and a molecular weight of 471.99 g/mol. Its IUPAC name is 2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID17312955
Molecular FormulaC19H22ClN3O5S2
Molecular Weight471.99 g/mol
Exact Mass471.07
IUPAC Name2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1Cl
InChIInChI=1S/C19H22ClN3O5S2/c1-29(25,26)23(18-7-3-2-6-17(18)20)14-19(24)21-15-8-10-16(11-9-15)30(27,28)22-12-4-5-13-22/h2-3,6-11H,4-5,12-14H2,1H3,(H,21,24)
InChIKeySGVBLULWFVNQMP-UHFFFAOYSA-N
XLogP2.53
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-N-methylsulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 1163326
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 21372080
2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 51343169
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-chloro-N-methylsulfonylanilino)acetamide
CID 21372809
2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 30219518
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92685375
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51342756
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1007877
2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1363234
2-(2-chloro-N-methylsulfonylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 51343181
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 126268305
N-(4-piperidin-1-ylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 100511260

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 17312955) is 2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is SGVBLULWFVNQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S2/c1-29(25,26)23(18-7-3-2-6-17(18)20)14-19(24)21-15-8-10-16(11-9-15)30(27,28)22-12-4-5-13-22/h2-3,6-11H,4-5,12-14H2,1H3,(H,21,24).
What are the key properties of 2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 471.99 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 17312955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).