N-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

C19H20N4O4S2 — CID 55895716

IUPACN-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cccn1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H20N4O4S2/c24-28(25,21-18-6-1-2-7-19(18)23-15-5-12-20-23)16-8-10-17(11-9-16)29(26,27)22-13-3-4-14-22/h1-2,5-12,15,21H,3-4,13-14H2
InChIKeyVZCLHSQKLNDZAI-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.46
Rot. Bonds6

About N-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

N-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 55895716) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
PubChem CID55895716
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC NameN-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cccn1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H20N4O4S2/c24-28(25,21-18-6-1-2-7-19(18)23-15-5-12-20-23)16-8-10-17(11-9-16)29(26,27)22-13-3-4-14-22/h1-2,5-12,15,21H,3-4,13-14H2
InChIKeyVZCLHSQKLNDZAI-UHFFFAOYSA-N
XLogP2.46
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559756
N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 2696858
2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
CID 55895336
2,6-difluoro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
CID 60532169
N-(2-benzylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 26979760
4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
CID 60532143
3-cyclopropyl-N-(2-pyrazol-1-ylphenyl)thiophene-2-sulfonamide
CID 166369498
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(triazol-1-yl)phenyl]propanamide
CID 112827697
2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2337095
N-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 47062887
N-(2,6-dimethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 8504701
4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2435475

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (CID 55895716) is N-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is O=S(=O)(Nc1ccccc1-n1cccn1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is VZCLHSQKLNDZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c24-28(25,21-18-6-1-2-7-19(18)23-15-5-12-20-23)16-8-10-17(11-9-16)29(26,27)22-13-3-4-14-22/h1-2,5-12,15,21H,3-4,13-14H2.
What are the key properties of N-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
N-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 432.53 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 55895716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).