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

C19H23Cl2N3O5S — CID 55358300

IUPAC2,4-dichloro-N-cyclopropyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C19H23Cl2N3O5S/c20-14-11-15(21)17(30(27,28)22-12-3-4-12)10-13(14)18(25)23-5-7-24(8-6-23)19(26)16-2-1-9-29-16/h10-12,16,22H,1-9H2
InChIKeyTVOPXIJXLSNVPF-UHFFFAOYSA-N
MW476.38 g/mol
LogP1.90
Rot. Bonds5

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

2,4-dichloro-N-cyclopropyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 55358300) has the molecular formula C19H23Cl2N3O5S and a molecular weight of 476.38 g/mol. Its IUPAC name is 2,4-dichloro-N-cyclopropyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-cyclopropyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID55358300
Molecular FormulaC19H23Cl2N3O5S
Molecular Weight476.38 g/mol
Exact Mass475.07
IUPAC Name2,4-dichloro-N-cyclopropyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C19H23Cl2N3O5S/c20-14-11-15(21)17(30(27,28)22-12-3-4-12)10-13(14)18(25)23-5-7-24(8-6-23)19(26)16-2-1-9-29-16/h10-12,16,22H,1-9H2
InChIKeyTVOPXIJXLSNVPF-UHFFFAOYSA-N
XLogP1.90
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 22109871
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
4-chloro-N-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 55330186
2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80716887
4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 94091179
[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51183590
4-chloro-N-ethyl-3-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 25351084
[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 51169379
4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566010
[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 47027374
4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55371330

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-cyclopropyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-cyclopropyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (CID 55358300) is 2,4-dichloro-N-cyclopropyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-cyclopropyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-cyclopropyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is O=C(c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 2,4-dichloro-N-cyclopropyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is TVOPXIJXLSNVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O5S/c20-14-11-15(21)17(30(27,28)22-12-3-4-12)10-13(14)18(25)23-5-7-24(8-6-23)19(26)16-2-1-9-29-16/h10-12,16,22H,1-9H2.
What are the key properties of 2,4-dichloro-N-cyclopropyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
2,4-dichloro-N-cyclopropyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 476.38 g/mol, XLogP of 1.90, 5 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-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 55358300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).