N'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide

C17H17ClN4O4S — CID 26641022

IUPACN'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1cccnc1
InChIInChI=1S/C17H17ClN4O4S/c18-15-6-5-13(27(25,26)22-8-1-2-9-22)10-14(15)17(24)21-20-16(23)12-4-3-7-19-11-12/h3-7,10-11H,1-2,8-9H2,(H,20,23)(H,21,24)
InChIKeyQRRKKCLWWUASQN-UHFFFAOYSA-N
MW408.87 g/mol
LogP1.59
Rot. Bonds4

About N'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide

N'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide (PubChem CID 26641022) has the molecular formula C17H17ClN4O4S and a molecular weight of 408.87 g/mol. Its IUPAC name is N'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
PubChem CID26641022
Molecular FormulaC17H17ClN4O4S
Molecular Weight408.87 g/mol
Exact Mass408.07
IUPAC NameN'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1cccnc1
InChIInChI=1S/C17H17ClN4O4S/c18-15-6-5-13(27(25,26)22-8-1-2-9-22)10-14(15)17(24)21-20-16(23)12-4-3-7-19-11-12/h3-7,10-11H,1-2,8-9H2,(H,20,23)(H,21,24)
InChIKeyQRRKKCLWWUASQN-UHFFFAOYSA-N
XLogP1.59
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.87
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
CID 46523062
N'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55461385
N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 24660007
N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 1265057
2-chloro-N'-[2-(4-chlorophenyl)acetyl]-5-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 55348670
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373
3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
CID 812621
5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 6473087
2-chloro-N-(pyridin-3-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387547
2-[1-(2-chloro-5-piperidin-1-ylsulfonylphenyl)ethoxy]-1-pyridin-3-ylethanone
CID 69157126

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide (CID 26641022) is N'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide is O=C(NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1cccnc1.
What is the InChIKey of N'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide?
The InChIKey is QRRKKCLWWUASQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O4S/c18-15-6-5-13(27(25,26)22-8-1-2-9-22)10-14(15)17(24)21-20-16(23)12-4-3-7-19-11-12/h3-7,10-11H,1-2,8-9H2,(H,20,23)(H,21,24).
What are the key properties of N'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide?
N'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide has a molecular weight of 408.87 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 26641022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).