4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide

C19H22ClN3O5S2 — CID 55604034

IUPAC4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22ClN3O5S2/c1-22(2)19(24)17-10-5-14(20)13-18(17)21-29(25,26)15-6-8-16(9-7-15)30(27,28)23-11-3-4-12-23/h5-10,13,21H,3-4,11-12H2,1-2H3
InChIKeyZODPTOFHAXMHRL-UHFFFAOYSA-N
MW471.99 g/mol
LogP2.63
Rot. Bonds6

About 4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide

4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide (PubChem CID 55604034) has the molecular formula C19H22ClN3O5S2 and a molecular weight of 471.99 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
PubChem CID55604034
Molecular FormulaC19H22ClN3O5S2
Molecular Weight471.99 g/mol
Exact Mass471.07
IUPAC Name4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22ClN3O5S2/c1-22(2)19(24)17-10-5-14(20)13-18(17)21-29(25,26)15-6-8-16(9-7-15)30(27,28)23-11-3-4-12-23/h5-10,13,21H,3-4,11-12H2,1-2H3
InChIKeyZODPTOFHAXMHRL-UHFFFAOYSA-N
XLogP2.63
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000922
2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
CID 43063617
4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000948
4-[(2,5-dichlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676923
N,N-dimethyl-4-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
CID 24580834
4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000902
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 43882515
4-chloro-2-[(2,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000972
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 1448342
2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid
CID 43697977
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chlorobenzenesulfonamide
CID 19684562
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide
CID 1010211

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide (CID 55604034) is 4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide is CN(C)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide?
The InChIKey is ZODPTOFHAXMHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S2/c1-22(2)19(24)17-10-5-14(20)13-18(17)21-29(25,26)15-6-8-16(9-7-15)30(27,28)23-11-3-4-12-23/h5-10,13,21H,3-4,11-12H2,1-2H3.
What are the key properties of 4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide?
4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide has a molecular weight of 471.99 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 55604034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).