2-amino-N-(3-propan-2-ylphenyl)pyridine-3-sulfonamide

C14H17N3O2S — CID 62144250

IUPAC2-amino-N-(3-propan-2-ylphenyl)pyridine-3-sulfonamide
SMILESCC(C)c1cccc(NS(=O)(=O)c2cccnc2N)c1
InChIInChI=1S/C14H17N3O2S/c1-10(2)11-5-3-6-12(9-11)17-20(18,19)13-7-4-8-16-14(13)15/h3-10,17H,1-2H3,(H2,15,16)
InChIKeyVMIVGVYRCUSWGZ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.59
Rot. Bonds4

About 2-amino-N-(3-propan-2-ylphenyl)pyridine-3-sulfonamide

2-amino-N-(3-propan-2-ylphenyl)pyridine-3-sulfonamide (PubChem CID 62144250) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-amino-N-(3-propan-2-ylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-propan-2-ylphenyl)pyridine-3-sulfonamide
PubChem CID62144250
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-amino-N-(3-propan-2-ylphenyl)pyridine-3-sulfonamide
SMILESCC(C)c1cccc(NS(=O)(=O)c2cccnc2N)c1
InChIInChI=1S/C14H17N3O2S/c1-10(2)11-5-3-6-12(9-11)17-20(18,19)13-7-4-8-16-14(13)15/h3-10,17H,1-2H3,(H2,15,16)
InChIKeyVMIVGVYRCUSWGZ-UHFFFAOYSA-N
XLogP2.59
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-chlorophenyl)pyridine-3-sulfonamide
CID 62144853
3-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-2-sulfonamide
CID 103300935
2-amino-N-[3-(methoxymethyl)phenyl]pyridine-3-sulfonamide
CID 62158681
2-amino-N-(4-iodophenyl)pyridine-3-sulfonamide
CID 62143904
4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 43256680
4-amino-2-chloro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 28973552
2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide
CID 107864042
2-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-sulfonamide
CID 62163676
2-amino-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 62144955
2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 43388271
2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 86839558
molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-propan-2-ylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-(3-propan-2-ylphenyl)pyridine-3-sulfonamide (CID 62144250) is 2-amino-N-(3-propan-2-ylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-(3-propan-2-ylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-(3-propan-2-ylphenyl)pyridine-3-sulfonamide is CC(C)c1cccc(NS(=O)(=O)c2cccnc2N)c1.
What is the InChIKey of 2-amino-N-(3-propan-2-ylphenyl)pyridine-3-sulfonamide?
The InChIKey is VMIVGVYRCUSWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10(2)11-5-3-6-12(9-11)17-20(18,19)13-7-4-8-16-14(13)15/h3-10,17H,1-2H3,(H2,15,16).
What are the key properties of 2-amino-N-(3-propan-2-ylphenyl)pyridine-3-sulfonamide?
2-amino-N-(3-propan-2-ylphenyl)pyridine-3-sulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-propan-2-ylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62144250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).