5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinylpyridine-3-sulfonamide

C12H18ClN5O2S — CID 64606278

IUPAC5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinylpyridine-3-sulfonamide
SMILESNNc1ncc(S(=O)(=O)NC2CCN(C3CC3)C2)cc1Cl
InChIInChI=1S/C12H18ClN5O2S/c13-11-5-10(6-15-12(11)16-14)21(19,20)17-8-3-4-18(7-8)9-1-2-9/h5-6,8-9,17H,1-4,7,14H2,(H,15,16)
InChIKeyVDSCQQJLJXHGKT-UHFFFAOYSA-N
MW331.83 g/mol
LogP0.54
Rot. Bonds5

About 5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinylpyridine-3-sulfonamide

5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinylpyridine-3-sulfonamide (PubChem CID 64606278) has the molecular formula C12H18ClN5O2S and a molecular weight of 331.83 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinylpyridine-3-sulfonamide
PubChem CID64606278
Molecular FormulaC12H18ClN5O2S
Molecular Weight331.83 g/mol
Exact Mass331.09
IUPAC Name5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinylpyridine-3-sulfonamide
SMILESNNc1ncc(S(=O)(=O)NC2CCN(C3CC3)C2)cc1Cl
InChIInChI=1S/C12H18ClN5O2S/c13-11-5-10(6-15-12(11)16-14)21(19,20)17-8-3-4-18(7-8)9-1-2-9/h5-6,8-9,17H,1-4,7,14H2,(H,15,16)
InChIKeyVDSCQQJLJXHGKT-UHFFFAOYSA-N
XLogP0.54
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-5-sulfonamide
CID 62156639
6-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-3-sulfonamide
CID 62159349
5-chloro-6-hydrazinyl-N-(2-methylcyclopentyl)pyridine-3-sulfonamide
CID 64609151
[3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 79180624
4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618836
6-amino-5-chloro-N-cyclopropylpyridine-3-sulfonamide
CID 64607555
5-chloro-N-(2-cyclobutylethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 113479037
5-chloro-6-hydrazinyl-N-pyrimidin-2-ylpyridine-3-sulfonamide
CID 64608544
4-bromo-2,6-dichloro-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide
CID 18141545
5-chloro-6-hydrazinyl-N-propylpyridine-3-sulfonamide
CID 64607208
N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide
CID 86338649
5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 64669013

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinylpyridine-3-sulfonamide (CID 64606278) is 5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinylpyridine-3-sulfonamide is NNc1ncc(S(=O)(=O)NC2CCN(C3CC3)C2)cc1Cl.
What is the InChIKey of 5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinylpyridine-3-sulfonamide?
The InChIKey is VDSCQQJLJXHGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O2S/c13-11-5-10(6-15-12(11)16-14)21(19,20)17-8-3-4-18(7-8)9-1-2-9/h5-6,8-9,17H,1-4,7,14H2,(H,15,16).
What are the key properties of 5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinylpyridine-3-sulfonamide?
5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinylpyridine-3-sulfonamide has a molecular weight of 331.83 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 64606278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).