N,N-diethyl-6-(4-phenylbutan-2-ylamino)pyridine-3-sulfonamide

C19H27N3O2S — CID 4781403

IUPACN,N-diethyl-6-(4-phenylbutan-2-ylamino)pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(C)CCc2ccccc2)nc1
InChIInChI=1S/C19H27N3O2S/c1-4-22(5-2)25(23,24)18-13-14-19(20-15-18)21-16(3)11-12-17-9-7-6-8-10-17/h6-10,13-16H,4-5,11-12H2,1-3H3,(H,20,21)
InChIKeyKLPNCQQRXPFZEH-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.55
Rot. Bonds9

About N,N-diethyl-6-(4-phenylbutan-2-ylamino)pyridine-3-sulfonamide

N,N-diethyl-6-(4-phenylbutan-2-ylamino)pyridine-3-sulfonamide (PubChem CID 4781403) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N,N-diethyl-6-(4-phenylbutan-2-ylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-(4-phenylbutan-2-ylamino)pyridine-3-sulfonamide
PubChem CID4781403
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN,N-diethyl-6-(4-phenylbutan-2-ylamino)pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(C)CCc2ccccc2)nc1
InChIInChI=1S/C19H27N3O2S/c1-4-22(5-2)25(23,24)18-13-14-19(20-15-18)21-16(3)11-12-17-9-7-6-8-10-17/h6-10,13-16H,4-5,11-12H2,1-3H3,(H,20,21)
InChIKeyKLPNCQQRXPFZEH-UHFFFAOYSA-N
XLogP3.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(4-phenylbutan-2-ylamino)pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-(4-phenylbutan-2-ylamino)pyridine-3-sulfonamide (CID 4781403) is N,N-diethyl-6-(4-phenylbutan-2-ylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-(4-phenylbutan-2-ylamino)pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-(4-phenylbutan-2-ylamino)pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(NC(C)CCc2ccccc2)nc1.
What is the InChIKey of N,N-diethyl-6-(4-phenylbutan-2-ylamino)pyridine-3-sulfonamide?
The InChIKey is KLPNCQQRXPFZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-4-22(5-2)25(23,24)18-13-14-19(20-15-18)21-16(3)11-12-17-9-7-6-8-10-17/h6-10,13-16H,4-5,11-12H2,1-3H3,(H,20,21).
What are the key properties of N,N-diethyl-6-(4-phenylbutan-2-ylamino)pyridine-3-sulfonamide?
N,N-diethyl-6-(4-phenylbutan-2-ylamino)pyridine-3-sulfonamide has a molecular weight of 361.51 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(4-phenylbutan-2-ylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 4781403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).