2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-4-sulfonamide

C14H24ClN3O2S — CID 61250551

IUPAC2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-4-sulfonamide
SMILESCCC(CC)C(CNS(=O)(=O)c1ccnc(Cl)c1)N(C)C
InChIInChI=1S/C14H24ClN3O2S/c1-5-11(6-2)13(18(3)4)10-17-21(19,20)12-7-8-16-14(15)9-12/h7-9,11,13,17H,5-6,10H2,1-4H3
InChIKeyKOUZMRJMRJYXMK-UHFFFAOYSA-N
MW333.89 g/mol
LogP2.38
Rot. Bonds8

About 2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-4-sulfonamide

2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-4-sulfonamide (PubChem CID 61250551) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-4-sulfonamide
PubChem CID61250551
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC Name2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-4-sulfonamide
SMILESCCC(CC)C(CNS(=O)(=O)c1ccnc(Cl)c1)N(C)C
InChIInChI=1S/C14H24ClN3O2S/c1-5-11(6-2)13(18(3)4)10-17-21(19,20)12-7-8-16-14(15)9-12/h7-9,11,13,17H,5-6,10H2,1-4H3
InChIKeyKOUZMRJMRJYXMK-UHFFFAOYSA-N
XLogP2.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-sulfonamide
CID 61250168
2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide
CID 54950253
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
CID 106336285
2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide
CID 61249256
2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide
CID 107856823
2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide
CID 114132607
2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61003549
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide
CID 106146436
2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide
CID 61247710
methyl 2-[(2-chloro-4-pyridinyl)sulfonylamino]-3-methylpentanoate
CID 61046444
2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide
CID 63318006
2-chloro-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 61004005

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-4-sulfonamide (CID 61250551) is 2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-4-sulfonamide is CCC(CC)C(CNS(=O)(=O)c1ccnc(Cl)c1)N(C)C.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-4-sulfonamide?
The InChIKey is KOUZMRJMRJYXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2S/c1-5-11(6-2)13(18(3)4)10-17-21(19,20)12-7-8-16-14(15)9-12/h7-9,11,13,17H,5-6,10H2,1-4H3.
What are the key properties of 2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-4-sulfonamide?
2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-4-sulfonamide has a molecular weight of 333.89 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-4-sulfonamide is sourced from PubChem (CID 61250551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).