2,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C19H25Cl2N3O3S — CID 42705137

IUPAC2,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCn1cccc1CN(CCCN1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H25Cl2N3O3S/c1-22-7-2-4-17(22)15-24(9-3-8-23-10-12-27-13-11-23)28(25,26)19-14-16(20)5-6-18(19)21/h2,4-7,14H,3,8-13,15H2,1H3
InChIKeyIISHQUWVYHGGDB-UHFFFAOYSA-N
MW446.40 g/mol
LogP3.25
Rot. Bonds8

About 2,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

2,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 42705137) has the molecular formula C19H25Cl2N3O3S and a molecular weight of 446.40 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID42705137
Molecular FormulaC19H25Cl2N3O3S
Molecular Weight446.40 g/mol
Exact Mass445.10
IUPAC Name2,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCn1cccc1CN(CCCN1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H25Cl2N3O3S/c1-22-7-2-4-17(22)15-24(9-3-8-23-10-12-27-13-11-23)28(25,26)19-14-16(20)5-6-18(19)21/h2,4-7,14H,3,8-13,15H2,1H3
InChIKeyIISHQUWVYHGGDB-UHFFFAOYSA-N
XLogP3.25
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3969066
2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42657272
2-[(2,5-dichlorophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4641947
N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
CID 42705113
N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide
CID 1060482
N-benzyl-2,5-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 126396011
4-chloro-3-(diethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 2326320
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4969009
2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3801591
N-benzyl-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide
CID 124538000
2-[(4-chlorophenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3258834
2-[(2,5-dichlorophenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3668536

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 42705137) is 2,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is Cn1cccc1CN(CCCN1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is IISHQUWVYHGGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O3S/c1-22-7-2-4-17(22)15-24(9-3-8-23-10-12-27-13-11-23)28(25,26)19-14-16(20)5-6-18(19)21/h2,4-7,14H,3,8-13,15H2,1H3.
What are the key properties of 2,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
2,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 446.40 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 42705137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).