N-[6-(dipropylamino)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

C20H29N3O3S — CID 113015764

IUPACN-[6-(dipropylamino)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCCCN(CCC)c1ccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)cn1
InChIInChI=1S/C20H29N3O3S/c1-6-10-23(11-7-2)20-9-8-17(14-21-20)22-27(24,25)19-13-15(3)18(26-5)12-16(19)4/h8-9,12-14,22H,6-7,10-11H2,1-5H3
InChIKeyMCDLKLBWZPCQJI-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.13
Rot. Bonds9

About N-[6-(dipropylamino)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

N-[6-(dipropylamino)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 113015764) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is N-[6-(dipropylamino)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(dipropylamino)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID113015764
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC NameN-[6-(dipropylamino)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCCCN(CCC)c1ccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)cn1
InChIInChI=1S/C20H29N3O3S/c1-6-10-23(11-7-2)20-9-8-17(14-21-20)22-27(24,25)19-13-15(3)18(26-5)12-16(19)4/h8-9,12-14,22H,6-7,10-11H2,1-5H3
InChIKeyMCDLKLBWZPCQJI-UHFFFAOYSA-N
XLogP4.13
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(dipropylamino)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113015745
N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 122301894
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113025801
4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113025121
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113015961
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100528166
2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide
CID 113009412
5-N-ethyl-2-N,2-N-dipropylpyridine-2,5-diamine
CID 82104326
N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113009809
4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide
CID 112981124
N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110728948
4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724977

Frequently Asked Questions

What is the IUPAC name of N-[6-(dipropylamino)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[6-(dipropylamino)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 113015764) is N-[6-(dipropylamino)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[6-(dipropylamino)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[6-(dipropylamino)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is CCCN(CCC)c1ccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)cn1.
What is the InChIKey of N-[6-(dipropylamino)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is MCDLKLBWZPCQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-6-10-23(11-7-2)20-9-8-17(14-21-20)22-27(24,25)19-13-15(3)18(26-5)12-16(19)4/h8-9,12-14,22H,6-7,10-11H2,1-5H3.
What are the key properties of N-[6-(dipropylamino)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-[6-(dipropylamino)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 391.54 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dipropylamino)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113015764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).