2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide

C15H18ClN3O3S — CID 113025271

IUPAC2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide
SMILESCOCCCNc1ccc(NS(=O)(=O)c2ccccc2Cl)nc1
InChIInChI=1S/C15H18ClN3O3S/c1-22-10-4-9-17-12-7-8-15(18-11-12)19-23(20,21)14-6-3-2-5-13(14)16/h2-3,5-8,11,17H,4,9-10H2,1H3,(H,18,19)
InChIKeyZMMLLBQMUSXXGB-UHFFFAOYSA-N
MW355.85 g/mol
LogP2.98
Rot. Bonds8

About 2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide

2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113025271) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide
PubChem CID113025271
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide
SMILESCOCCCNc1ccc(NS(=O)(=O)c2ccccc2Cl)nc1
InChIInChI=1S/C15H18ClN3O3S/c1-22-10-4-9-17-12-7-8-15(18-11-12)19-23(20,21)14-6-3-2-5-13(14)16/h2-3,5-8,11,17H,4,9-10H2,1H3,(H,18,19)
InChIKeyZMMLLBQMUSXXGB-UHFFFAOYSA-N
XLogP2.98
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023545
2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide
CID 113034036
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide
CID 113024346
2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 25035216
N-[5-(2-methoxyethylamino)-2-pyridinyl]methanesulfonamide
CID 113025091
2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide
CID 113030186
N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113010523
2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113012187
4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113025121
6-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319210
N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide
CID 113010392
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide
CID 113030458

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide (CID 113025271) is 2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide is COCCCNc1ccc(NS(=O)(=O)c2ccccc2Cl)nc1.
What is the InChIKey of 2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is ZMMLLBQMUSXXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c1-22-10-4-9-17-12-7-8-15(18-11-12)19-23(20,21)14-6-3-2-5-13(14)16/h2-3,5-8,11,17H,4,9-10H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide?
2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 355.85 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113025271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).