3-propan-2-yl-4-propoxy-N-pyridin-3-ylbenzenesulfonamide

C17H22N2O3S — CID 16645112

IUPAC3-propan-2-yl-4-propoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1C(C)C
InChIInChI=1S/C17H22N2O3S/c1-4-10-22-17-8-7-15(11-16(17)13(2)3)23(20,21)19-14-6-5-9-18-12-14/h5-9,11-13,19H,4,10H2,1-3H3
InChIKeyLRWDGPYXPYEKIE-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.79
Rot. Bonds7

About 3-propan-2-yl-4-propoxy-N-pyridin-3-ylbenzenesulfonamide

3-propan-2-yl-4-propoxy-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 16645112) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-propan-2-yl-4-propoxy-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-propan-2-yl-4-propoxy-N-pyridin-3-ylbenzenesulfonamide
PubChem CID16645112
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name3-propan-2-yl-4-propoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1C(C)C
InChIInChI=1S/C17H22N2O3S/c1-4-10-22-17-8-7-15(11-16(17)13(2)3)23(20,21)19-14-6-5-9-18-12-14/h5-9,11-13,19H,4,10H2,1-3H3
InChIKeyLRWDGPYXPYEKIE-UHFFFAOYSA-N
XLogP3.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-propan-2-yl-4-propoxy-N-pyridin-3-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 29275645
5-chloro-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 9267841
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
4-butoxy-N-(2-hydroxyethyl)-3-propan-2-ylbenzenesulfonamide
CID 50876538
3-iodo-4-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide
CID 99940779
4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033343
4-butoxy-N-[(1R)-1-phenylethyl]-3-propan-2-ylbenzenesulfonamide
CID 124680588
2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 15943881
3,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 3269893
3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 71991673
(2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
CID 93486859
4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033379

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4-propoxy-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 3-propan-2-yl-4-propoxy-N-pyridin-3-ylbenzenesulfonamide (CID 16645112) is 3-propan-2-yl-4-propoxy-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-propan-2-yl-4-propoxy-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-propan-2-yl-4-propoxy-N-pyridin-3-ylbenzenesulfonamide is CCCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1C(C)C.
What is the InChIKey of 3-propan-2-yl-4-propoxy-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is LRWDGPYXPYEKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-4-10-22-17-8-7-15(11-16(17)13(2)3)23(20,21)19-14-6-5-9-18-12-14/h5-9,11-13,19H,4,10H2,1-3H3.
What are the key properties of 3-propan-2-yl-4-propoxy-N-pyridin-3-ylbenzenesulfonamide?
3-propan-2-yl-4-propoxy-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4-propoxy-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 16645112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).