N-[3,5-bis(4-chlorophenyl)-4-(methanesulfonamido)pyrazol-1-yl]benzenesulfonamide

C22H18Cl2N4O4S2 — CID 23215779

IUPACN-[3,5-bis(4-chlorophenyl)-4-(methanesulfonamido)pyrazol-1-yl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1c(-c2ccc(Cl)cc2)nn(NS(=O)(=O)c2ccccc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl2N4O4S2/c1-33(29,30)26-21-20(15-7-11-17(23)12-8-15)25-28(22(21)16-9-13-18(24)14-10-16)27-34(31,32)19-5-3-2-4-6-19/h2-14,26-27H,1H3
InChIKeyVCGINXVCMFNMBD-UHFFFAOYSA-N
MW537.45 g/mol
LogP4.83
Rot. Bonds7

About N-[3,5-bis(4-chlorophenyl)-4-(methanesulfonamido)pyrazol-1-yl]benzenesulfonamide

N-[3,5-bis(4-chlorophenyl)-4-(methanesulfonamido)pyrazol-1-yl]benzenesulfonamide (PubChem CID 23215779) has the molecular formula C22H18Cl2N4O4S2 and a molecular weight of 537.45 g/mol. Its IUPAC name is N-[3,5-bis(4-chlorophenyl)-4-(methanesulfonamido)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3,5-bis(4-chlorophenyl)-4-(methanesulfonamido)pyrazol-1-yl]benzenesulfonamide
PubChem CID23215779
Molecular FormulaC22H18Cl2N4O4S2
Molecular Weight537.45 g/mol
Exact Mass536.01
IUPAC NameN-[3,5-bis(4-chlorophenyl)-4-(methanesulfonamido)pyrazol-1-yl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1c(-c2ccc(Cl)cc2)nn(NS(=O)(=O)c2ccccc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl2N4O4S2/c1-33(29,30)26-21-20(15-7-11-17(23)12-8-15)25-28(22(21)16-9-13-18(24)14-10-16)27-34(31,32)19-5-3-2-4-6-19/h2-14,26-27H,1H3
InChIKeyVCGINXVCMFNMBD-UHFFFAOYSA-N
XLogP4.83
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.45
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209770
N-[4-chloro-3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
CID 23209769
1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide
CID 67649580
N-[5-(4-chlorophenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209750
N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 23215863
N-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 67580508
N-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide
CID 23215722
N-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580493
N-[5-(3-bromophenyl)-3-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580443
N-[5-(4-chlorophenyl)-3-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580098
N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide
CID 134879213
N-[5-(4-chlorophenoxy)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 67596505

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(4-chlorophenyl)-4-(methanesulfonamido)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[3,5-bis(4-chlorophenyl)-4-(methanesulfonamido)pyrazol-1-yl]benzenesulfonamide (CID 23215779) is N-[3,5-bis(4-chlorophenyl)-4-(methanesulfonamido)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[3,5-bis(4-chlorophenyl)-4-(methanesulfonamido)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[3,5-bis(4-chlorophenyl)-4-(methanesulfonamido)pyrazol-1-yl]benzenesulfonamide is CS(=O)(=O)Nc1c(-c2ccc(Cl)cc2)nn(NS(=O)(=O)c2ccccc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[3,5-bis(4-chlorophenyl)-4-(methanesulfonamido)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is VCGINXVCMFNMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O4S2/c1-33(29,30)26-21-20(15-7-11-17(23)12-8-15)25-28(22(21)16-9-13-18(24)14-10-16)27-34(31,32)19-5-3-2-4-6-19/h2-14,26-27H,1H3.
What are the key properties of N-[3,5-bis(4-chlorophenyl)-4-(methanesulfonamido)pyrazol-1-yl]benzenesulfonamide?
N-[3,5-bis(4-chlorophenyl)-4-(methanesulfonamido)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 537.45 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(4-chlorophenyl)-4-(methanesulfonamido)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 23215779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).