N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide

C18H25N3O2S — CID 113018038

IUPACN-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2c(C)cccc2C(C)C)nc1
InChIInChI=1S/C18H25N3O2S/c1-5-11-24(22,23)21-15-9-10-17(19-12-15)20-18-14(4)7-6-8-16(18)13(2)3/h6-10,12-13,21H,5,11H2,1-4H3,(H,19,20)
InChIKeyKGOHSAKKNCPEDS-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.41
Rot. Bonds7

About N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide

N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide (PubChem CID 113018038) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide
PubChem CID113018038
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2c(C)cccc2C(C)C)nc1
InChIInChI=1S/C18H25N3O2S/c1-5-11-24(22,23)21-15-9-10-17(19-12-15)20-18-14(4)7-6-8-16(18)13(2)3/h6-10,12-13,21H,5,11H2,1-4H3,(H,19,20)
InChIKeyKGOHSAKKNCPEDS-UHFFFAOYSA-N
XLogP4.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113017701
N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide
CID 113032871
3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113018002
1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea
CID 113018035
5-bromo-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine
CID 63463659
5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine
CID 66234324
ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate
CID 113032879
N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018556
N-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
CID 109151740
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide
CID 113021698
N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide
CID 113020236
N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
CID 113031365

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide?
The IUPAC name of N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide (CID 113018038) is N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2c(C)cccc2C(C)C)nc1.
What is the InChIKey of N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide?
The InChIKey is KGOHSAKKNCPEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-5-11-24(22,23)21-15-9-10-17(19-12-15)20-18-14(4)7-6-8-16(18)13(2)3/h6-10,12-13,21H,5,11H2,1-4H3,(H,19,20).
What are the key properties of N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide?
N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide has a molecular weight of 347.48 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 113018038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).