3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide

C9H12ClN3O3S — CID 66464224

IUPAC3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1ccncc1Cl
InChIInChI=1S/C9H12ClN3O3S/c1-17(15,16)13-5-4-12-9(14)7-2-3-11-6-8(7)10/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKeyATJZQHKHAZETLL-UHFFFAOYSA-N
MW277.73 g/mol
LogP0.01
Rot. Bonds5

About 3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide

3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide (PubChem CID 66464224) has the molecular formula C9H12ClN3O3S and a molecular weight of 277.73 g/mol. Its IUPAC name is 3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide
PubChem CID66464224
Molecular FormulaC9H12ClN3O3S
Molecular Weight277.73 g/mol
Exact Mass277.03
IUPAC Name3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1ccncc1Cl
InChIInChI=1S/C9H12ClN3O3S/c1-17(15,16)13-5-4-12-9(14)7-2-3-11-6-8(7)10/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKeyATJZQHKHAZETLL-UHFFFAOYSA-N
XLogP0.01
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide
CID 81242784
3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide
CID 66484906
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 66482781
N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide
CID 66462619
3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
CID 66464589
3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 66481997
N-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide
CID 106342407
N-but-2-ynyl-3-chloropyridine-4-carboxamide
CID 115866885
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526506

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide (CID 66464224) is 3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide is CS(=O)(=O)NCCNC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide?
The InChIKey is ATJZQHKHAZETLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S/c1-17(15,16)13-5-4-12-9(14)7-2-3-11-6-8(7)10/h2-3,6,13H,4-5H2,1H3,(H,12,14).
What are the key properties of 3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide?
3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide has a molecular weight of 277.73 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 66464224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).