N-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide

C17H21ClN2O3S — CID 35202531

IUPACN-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide
SMILESCCCCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C
InChIInChI=1S/C17H21ClN2O3S/c1-3-4-5-10-23-16-8-7-15(11-13(16)2)24(21,22)20-17-9-6-14(18)12-19-17/h6-9,11-12H,3-5,10H2,1-2H3,(H,19,20)
InChIKeyDKOAMHRNUKBBCL-UHFFFAOYSA-N
MW368.89 g/mol
LogP4.41
Rot. Bonds8

About N-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide

N-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide (PubChem CID 35202531) has the molecular formula C17H21ClN2O3S and a molecular weight of 368.89 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide
PubChem CID35202531
Molecular FormulaC17H21ClN2O3S
Molecular Weight368.89 g/mol
Exact Mass368.10
IUPAC NameN-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide
SMILESCCCCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C
InChIInChI=1S/C17H21ClN2O3S/c1-3-4-5-10-23-16-8-7-15(11-13(16)2)24(21,22)20-17-9-6-14(18)12-19-17/h6-9,11-12H,3-5,10H2,1-2H3,(H,19,20)
InChIKeyDKOAMHRNUKBBCL-UHFFFAOYSA-N
XLogP4.41
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024046
3,4-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 74229116
N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 653931
4-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106919996
4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide
CID 35203130
4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide
CID 154781020
N-(5-chloro-2-pyridinyl)-3,4-difluorobenzenesulfonamide
CID 19683191
N-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide
CID 6473352
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide
CID 113030458
N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 46417535
5-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methoxy-N-methylbenzamide
CID 6471703
4-hexoxy-3-methylbenzenesulfonic acid
CID 87682084

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide (CID 35202531) is N-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide is CCCCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide?
The InChIKey is DKOAMHRNUKBBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S/c1-3-4-5-10-23-16-8-7-15(11-13(16)2)24(21,22)20-17-9-6-14(18)12-19-17/h6-9,11-12H,3-5,10H2,1-2H3,(H,19,20).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide?
N-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide has a molecular weight of 368.89 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide is sourced from PubChem (CID 35202531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).