3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide

C16H19ClN2O3S — CID 110661338

IUPAC3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCCc2cccnc2)cc1Cl
InChIInChI=1S/C16H19ClN2O3S/c1-22-16-8-7-14(11-15(16)17)23(20,21)19-10-3-2-5-13-6-4-9-18-12-13/h4,6-9,11-12,19H,2-3,5,10H2,1H3
InChIKeyMUUZEALVFCLYMI-UHFFFAOYSA-N
MW354.86 g/mol
LogP3.04
Rot. Bonds8

About 3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide

3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide (PubChem CID 110661338) has the molecular formula C16H19ClN2O3S and a molecular weight of 354.86 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
PubChem CID110661338
Molecular FormulaC16H19ClN2O3S
Molecular Weight354.86 g/mol
Exact Mass354.08
IUPAC Name3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCCc2cccnc2)cc1Cl
InChIInChI=1S/C16H19ClN2O3S/c1-22-16-8-7-14(11-15(16)17)23(20,21)19-10-3-2-5-13-6-4-9-18-12-13/h4,6-9,11-12,19H,2-3,5,10H2,1H3
InChIKeyMUUZEALVFCLYMI-UHFFFAOYSA-N
XLogP3.04
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 53.04
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

4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
CID 110661328
6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide
CID 110408505
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]-4-methoxybenzenesulfonamide
CID 16890872
N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110661363
4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110400290
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide
CID 37498541
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 37478572
5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 64608921
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055375
6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid
CID 10319970

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide (CID 110661338) is 3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCCCc2cccnc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide?
The InChIKey is MUUZEALVFCLYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S/c1-22-16-8-7-14(11-15(16)17)23(20,21)19-10-3-2-5-13-6-4-9-18-12-13/h4,6-9,11-12,19H,2-3,5,10H2,1H3.
What are the key properties of 3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide?
3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide has a molecular weight of 354.86 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 110661338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).