2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide

C20H28Cl2N4O3S — CID 22109871

IUPAC2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)N1CCN(CCN2CCCC2)CC1
InChIInChI=1S/C20H28Cl2N4O3S/c21-17-14-18(22)19(30(28,29)23-15-3-4-15)13-16(17)20(27)26-11-9-25(10-12-26)8-7-24-5-1-2-6-24/h13-15,23H,1-12H2
InChIKeyPZFLIYYBWXSUIO-UHFFFAOYSA-N
MW475.44 g/mol
LogP2.29
Rot. Bonds7

About 2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide

2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 22109871) has the molecular formula C20H28Cl2N4O3S and a molecular weight of 475.44 g/mol. Its IUPAC name is 2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID22109871
Molecular FormulaC20H28Cl2N4O3S
Molecular Weight475.44 g/mol
Exact Mass474.13
IUPAC Name2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)N1CCN(CCN2CCCC2)CC1
InChIInChI=1S/C20H28Cl2N4O3S/c21-17-14-18(22)19(30(28,29)23-15-3-4-15)13-16(17)20(27)26-11-9-25(10-12-26)8-7-24-5-1-2-6-24/h13-15,23H,1-12H2
InChIKeyPZFLIYYBWXSUIO-UHFFFAOYSA-N
XLogP2.29
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-cyclopropyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55358300
2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 39911331
2,4-dichloro-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 30866694
1-[2,4-dichloro-5-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 19257691
2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 60634969
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55985999
propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate
CID 46574592
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 55950772
2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80716887
2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide
CID 19257581
propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate
CID 56543666
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17474547

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide (CID 22109871) is 2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide is O=C(c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)N1CCN(CCN2CCCC2)CC1.
What is the InChIKey of 2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is PZFLIYYBWXSUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Cl2N4O3S/c21-17-14-18(22)19(30(28,29)23-15-3-4-15)13-16(17)20(27)26-11-9-25(10-12-26)8-7-24-5-1-2-6-24/h13-15,23H,1-12H2.
What are the key properties of 2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide?
2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 475.44 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 22109871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).