N-propan-2-yl-2-(pyridin-4-ylamino)benzenesulfonamide

C14H17N3O2S — CID 135368815

IUPACN-propan-2-yl-2-(pyridin-4-ylamino)benzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1Nc1ccncc1
InChIInChI=1S/C14H17N3O2S/c1-11(2)17-20(18,19)14-6-4-3-5-13(14)16-12-7-9-15-10-8-12/h3-11,17H,1-2H3,(H,15,16)
InChIKeyGTYNQPRNSDOPQZ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.51
Rot. Bonds5

About N-propan-2-yl-2-(pyridin-4-ylamino)benzenesulfonamide

N-propan-2-yl-2-(pyridin-4-ylamino)benzenesulfonamide (PubChem CID 135368815) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-propan-2-yl-2-(pyridin-4-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(pyridin-4-ylamino)benzenesulfonamide
PubChem CID135368815
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-propan-2-yl-2-(pyridin-4-ylamino)benzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1Nc1ccncc1
InChIInChI=1S/C14H17N3O2S/c1-11(2)17-20(18,19)14-6-4-3-5-13(14)16-12-7-9-15-10-8-12/h3-11,17H,1-2H3,(H,15,16)
InChIKeyGTYNQPRNSDOPQZ-UHFFFAOYSA-N
XLogP2.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpyrazol-4-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43543691
N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62663937
2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide
CID 113303827
2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588
2-hydrazinyl-N-pyridin-4-ylbenzenesulfonamide
CID 43383529
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43500172
2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide
CID 61482608
2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383470
N-[2-(1-aminoethyl)phenyl]pyridin-4-amine
CID 63761448
2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 168641055
2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide
CID 81177250
2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide
CID 107318077

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(pyridin-4-ylamino)benzenesulfonamide?
The IUPAC name of N-propan-2-yl-2-(pyridin-4-ylamino)benzenesulfonamide (CID 135368815) is N-propan-2-yl-2-(pyridin-4-ylamino)benzenesulfonamide.
What is the SMILES notation for N-propan-2-yl-2-(pyridin-4-ylamino)benzenesulfonamide?
The canonical SMILES for N-propan-2-yl-2-(pyridin-4-ylamino)benzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1Nc1ccncc1.
What is the InChIKey of N-propan-2-yl-2-(pyridin-4-ylamino)benzenesulfonamide?
The InChIKey is GTYNQPRNSDOPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11(2)17-20(18,19)14-6-4-3-5-13(14)16-12-7-9-15-10-8-12/h3-11,17H,1-2H3,(H,15,16).
What are the key properties of N-propan-2-yl-2-(pyridin-4-ylamino)benzenesulfonamide?
N-propan-2-yl-2-(pyridin-4-ylamino)benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(pyridin-4-ylamino)benzenesulfonamide is sourced from PubChem (CID 135368815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).