2,5-dichloro-N-[4-[3-[(2,5-dichlorophenyl)sulfonylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide

C24H15Cl4N5O4S2 — CID 90421357

IUPAC2,5-dichloro-N-[4-[3-[(2,5-dichlorophenyl)sulfonylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cc3[nH]nc(NS(=O)(=O)c4cc(Cl)ccc4Cl)c3cn2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C24H15Cl4N5O4S2/c25-14-3-7-18(27)22(9-14)38(34,35)32-16-5-1-13(2-6-16)20-11-21-17(12-29-20)24(31-30-21)33-39(36,37)23-10-15(26)4-8-19(23)28/h1-12,32H,(H2,30,31,33)
InChIKeyGXKHTTNKSPBDGJ-UHFFFAOYSA-N
MW643.36 g/mol
LogP6.84
Rot. Bonds7

About 2,5-dichloro-N-[4-[3-[(2,5-dichlorophenyl)sulfonylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide

2,5-dichloro-N-[4-[3-[(2,5-dichlorophenyl)sulfonylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide (PubChem CID 90421357) has the molecular formula C24H15Cl4N5O4S2 and a molecular weight of 643.36 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-[3-[(2,5-dichlorophenyl)sulfonylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-[3-[(2,5-dichlorophenyl)sulfonylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide
PubChem CID90421357
Molecular FormulaC24H15Cl4N5O4S2
Molecular Weight643.36 g/mol
Exact Mass640.93
IUPAC Name2,5-dichloro-N-[4-[3-[(2,5-dichlorophenyl)sulfonylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cc3[nH]nc(NS(=O)(=O)c4cc(Cl)ccc4Cl)c3cn2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C24H15Cl4N5O4S2/c25-14-3-7-18(27)22(9-14)38(34,35)32-16-5-1-13(2-6-16)20-11-21-17(12-29-20)24(31-30-21)33-39(36,37)23-10-15(26)4-8-19(23)28/h1-12,32H,(H2,30,31,33)
InChIKeyGXKHTTNKSPBDGJ-UHFFFAOYSA-N
XLogP6.84
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.36
LogP ≤ 56.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2,5-dichloro-N-[4-[3-[(2,5-dichlorophenyl)sulfonylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[3-(benzylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-2,5-dichlorobenzenesulfonamide
CID 90421570
5-chloro-N-[4-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-2-fluorobenzenesulfonamide
CID 137148428
1-[6-[4-[(2,5-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-3-(oxan-4-ylmethyl)urea
CID 90421384
2,5-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 102989905
5-chloro-2-fluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide
CID 71537544
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
CID 41427635
2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 71396289
2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide
CID 4199762
2,5-dichloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
CID 41427562
2,5-dichloro-N-[4-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl]benzenesulfonamide
CID 90421196
N-(5-amino-3-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 115910815

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-[3-[(2,5-dichlorophenyl)sulfonylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-[3-[(2,5-dichlorophenyl)sulfonylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide (CID 90421357) is 2,5-dichloro-N-[4-[3-[(2,5-dichlorophenyl)sulfonylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-[3-[(2,5-dichlorophenyl)sulfonylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-[3-[(2,5-dichlorophenyl)sulfonylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-c2cc3[nH]nc(NS(=O)(=O)c4cc(Cl)ccc4Cl)c3cn2)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[4-[3-[(2,5-dichlorophenyl)sulfonylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide?
The InChIKey is GXKHTTNKSPBDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl4N5O4S2/c25-14-3-7-18(27)22(9-14)38(34,35)32-16-5-1-13(2-6-16)20-11-21-17(12-29-20)24(31-30-21)33-39(36,37)23-10-15(26)4-8-19(23)28/h1-12,32H,(H2,30,31,33).
What are the key properties of 2,5-dichloro-N-[4-[3-[(2,5-dichlorophenyl)sulfonylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide?
2,5-dichloro-N-[4-[3-[(2,5-dichlorophenyl)sulfonylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide has a molecular weight of 643.36 g/mol, XLogP of 6.84, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-[3-[(2,5-dichlorophenyl)sulfonylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 90421357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).