2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide

C12H14ClN3O2S — CID 61215503

IUPAC2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide
SMILESCC(C)(C#N)N(C1CC1)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C12H14ClN3O2S/c1-12(2,8-14)16(9-5-6-9)19(17,18)10-4-3-7-15-11(10)13/h3-4,7,9H,5-6H2,1-2H3
InChIKeyRBOVQIIJUGZBNH-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.19
Rot. Bonds4

About 2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide

2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide (PubChem CID 61215503) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide
PubChem CID61215503
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide
SMILESCC(C)(C#N)N(C1CC1)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C12H14ClN3O2S/c1-12(2,8-14)16(9-5-6-9)19(17,18)10-4-3-7-15-11(10)13/h3-4,7,9H,5-6H2,1-2H3
InChIKeyRBOVQIIJUGZBNH-UHFFFAOYSA-N
XLogP2.19
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylbenzenesulfonamide
CID 61216587
N-(2-cyanopropan-2-yl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 61215504
2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid
CID 60828632
2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398331
2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
CID 61046113
2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 61042316
2-cyano-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 106545449
5-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylthiophene-2-sulfonamide
CID 61392309
4-(bromomethyl)-N-(2-cyanopropan-2-yl)-N-cyclopropylbenzenesulfonamide
CID 65481779
2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid
CID 43656189
ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate
CID 61045378
2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide
CID 61046475

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide (CID 61215503) is 2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide is CC(C)(C#N)N(C1CC1)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide?
The InChIKey is RBOVQIIJUGZBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-12(2,8-14)16(9-5-6-9)19(17,18)10-4-3-7-15-11(10)13/h3-4,7,9H,5-6H2,1-2H3.
What are the key properties of 2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide?
2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide has a molecular weight of 299.78 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide is sourced from PubChem (CID 61215503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).