N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]pyridine-3-sulfonamide

C14H12ClN3O2S — CID 81279894

IUPACN-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]pyridine-3-sulfonamide
SMILESNCC#Cc1cc(Cl)ccc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C14H12ClN3O2S/c15-12-5-6-14(11(9-12)3-1-7-16)18-21(19,20)13-4-2-8-17-10-13/h2,4-6,8-10,18H,7,16H2
InChIKeyTZMWRUYOFSAICM-UHFFFAOYSA-N
MW321.79 g/mol
LogP1.85
Rot. Bonds3

About N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]pyridine-3-sulfonamide

N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]pyridine-3-sulfonamide (PubChem CID 81279894) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]pyridine-3-sulfonamide
PubChem CID81279894
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC NameN-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]pyridine-3-sulfonamide
SMILESNCC#Cc1cc(Cl)ccc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C14H12ClN3O2S/c15-12-5-6-14(11(9-12)3-1-7-16)18-21(19,20)13-4-2-8-17-10-13/h2,4-6,8-10,18H,7,16H2
InChIKeyTZMWRUYOFSAICM-UHFFFAOYSA-N
XLogP1.85
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]pyridine-3-sulfonamide
CID 60815124
N-(2,5-dichlorophenyl)pyridine-3-sulfonamide
CID 16638548
N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide
CID 60814918
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]pyrrolidine-1-sulfonamide
CID 81281455
4-chloro-2-(pyridin-3-ylsulfonylamino)benzenecarbothioamide
CID 64917258
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-2-methylsulfonylethanesulfonamide
CID 81280121
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 81280632
N-(5-amino-2-fluorophenyl)pyridine-3-sulfonamide
CID 24707183
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-methoxypropane-1-sulfonamide
CID 81280680
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-2-propan-2-yloxyethanesulfonamide
CID 81280127
N-(4-amino-2-methylphenyl)pyridine-3-sulfonamide
CID 24696951
N-(4-aminobutyl)pyridine-3-sulfonamide
CID 60893787

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]pyridine-3-sulfonamide (CID 81279894) is N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]pyridine-3-sulfonamide is NCC#Cc1cc(Cl)ccc1NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]pyridine-3-sulfonamide?
The InChIKey is TZMWRUYOFSAICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c15-12-5-6-14(11(9-12)3-1-7-16)18-21(19,20)13-4-2-8-17-10-13/h2,4-6,8-10,18H,7,16H2.
What are the key properties of N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]pyridine-3-sulfonamide?
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]pyridine-3-sulfonamide has a molecular weight of 321.79 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 81279894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).