2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide

C14H16ClN3O2S — CID 113023545

IUPAC2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
SMILESCCCNc1ccc(NS(=O)(=O)c2ccccc2Cl)nc1
InChIInChI=1S/C14H16ClN3O2S/c1-2-9-16-11-7-8-14(17-10-11)18-21(19,20)13-6-4-3-5-12(13)15/h3-8,10,16H,2,9H2,1H3,(H,17,18)
InChIKeyVWEDKKMSVAXKFR-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.36
Rot. Bonds6

About 2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide

2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113023545) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
PubChem CID113023545
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
SMILESCCCNc1ccc(NS(=O)(=O)c2ccccc2Cl)nc1
InChIInChI=1S/C14H16ClN3O2S/c1-2-9-16-11-7-8-14(17-10-11)18-21(19,20)13-6-4-3-5-12(13)15/h3-8,10,16H,2,9H2,1H3,(H,17,18)
InChIKeyVWEDKKMSVAXKFR-UHFFFAOYSA-N
XLogP3.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide
CID 113025271
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide
CID 113024346
2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 25035216
2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide
CID 113034036
2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide
CID 113030186
2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113012187
4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023499
2-(dimethylsulfamoylamino)-5-(propylamino)pyridine
CID 113023494
N-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 65480888
2,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023515
6-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319210
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide
CID 113030458

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide (CID 113023545) is 2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide is CCCNc1ccc(NS(=O)(=O)c2ccccc2Cl)nc1.
What is the InChIKey of 2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is VWEDKKMSVAXKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-2-9-16-11-7-8-14(17-10-11)18-21(19,20)13-6-4-3-5-12(13)15/h3-8,10,16H,2,9H2,1H3,(H,17,18).
What are the key properties of 2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide?
2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113023545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).