2,5-dichloro-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide

C15H17Cl2N3O3S — CID 129356355

IUPAC2,5-dichloro-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(C[C@@H]2CCCCO2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H17Cl2N3O3S/c16-11-4-5-14(17)15(7-11)24(21,22)19-12-8-18-20(9-12)10-13-3-1-2-6-23-13/h4-5,7-9,13,19H,1-3,6,10H2/t13-/m0/s1
InChIKeyXQADCZCQCNEAPO-ZDUSSCGKSA-N
MW390.29 g/mol
LogP3.56
Rot. Bonds5

About 2,5-dichloro-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide

2,5-dichloro-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide (PubChem CID 129356355) has the molecular formula C15H17Cl2N3O3S and a molecular weight of 390.29 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
PubChem CID129356355
Molecular FormulaC15H17Cl2N3O3S
Molecular Weight390.29 g/mol
Exact Mass389.04
IUPAC Name2,5-dichloro-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(C[C@@H]2CCCCO2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H17Cl2N3O3S/c16-11-4-5-14(17)15(7-11)24(21,22)19-12-8-18-20(9-12)10-13-3-1-2-6-23-13/h4-5,7-9,13,19H,1-3,6,10H2/t13-/m0/s1
InChIKeyXQADCZCQCNEAPO-ZDUSSCGKSA-N
XLogP3.56
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 129356354
2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121017030
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide
CID 129355346
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 129356517
4-tert-butyl-2,6-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 52528885
3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121145386
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
4-ethoxy-3-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121145415
N-[(2-bromo-5-chlorophenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 66160337
1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide
CID 129354832
4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide
CID 121145130
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide
CID 154769117

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide (CID 129356355) is 2,5-dichloro-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide is O=S(=O)(Nc1cnn(C[C@@H]2CCCCO2)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide?
The InChIKey is XQADCZCQCNEAPO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17Cl2N3O3S/c16-11-4-5-14(17)15(7-11)24(21,22)19-12-8-18-20(9-12)10-13-3-1-2-6-23-13/h4-5,7-9,13,19H,1-3,6,10H2/t13-/m0/s1.
What are the key properties of 2,5-dichloro-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide?
2,5-dichloro-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide has a molecular weight of 390.29 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 129356355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).