5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide

C12H16ClN5O2S — CID 65236588

IUPAC5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCCc2cnc[nH]2)cc1Cl
InChIInChI=1S/C12H16ClN5O2S/c1-2-15-12-11(13)5-10(7-16-12)21(19,20)18-4-3-9-6-14-8-17-9/h5-8,18H,2-4H2,1H3,(H,14,17)(H,15,16)
InChIKeyBUHQZQJFHUYYAI-UHFFFAOYSA-N
MW329.81 g/mol
LogP1.41
Rot. Bonds7

About 5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide

5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 65236588) has the molecular formula C12H16ClN5O2S and a molecular weight of 329.81 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide
PubChem CID65236588
Molecular FormulaC12H16ClN5O2S
Molecular Weight329.81 g/mol
Exact Mass329.07
IUPAC Name5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCCc2cnc[nH]2)cc1Cl
InChIInChI=1S/C12H16ClN5O2S/c1-2-15-12-11(13)5-10(7-16-12)21(19,20)18-4-3-9-6-14-8-17-9/h5-8,18H,2-4H2,1H3,(H,14,17)(H,15,16)
InChIKeyBUHQZQJFHUYYAI-UHFFFAOYSA-N
XLogP1.41
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 136574861
5-chloro-6-(ethylamino)pyridine-3-sulfonamide
CID 64608699
2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231081
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide
CID 64601463
2,5-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 65231103
4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-3-nitrobenzenesulfonamide
CID 40559388
5-chloro-6-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 64606204
5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide
CID 64608495
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65231692
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide
CID 65230879
4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methoxybenzenesulfonamide
CID 65231192
5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 64601137

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide (CID 65236588) is 5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide is CCNc1ncc(S(=O)(=O)NCCc2cnc[nH]2)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is BUHQZQJFHUYYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O2S/c1-2-15-12-11(13)5-10(7-16-12)21(19,20)18-4-3-9-6-14-8-17-9/h5-8,18H,2-4H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide?
5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 329.81 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 65236588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).