N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide

C16H28N2O2S — CID 63837919

IUPACN-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NC(C)C(CC)CC)cc1
InChIInChI=1S/C16H28N2O2S/c1-5-12-17-15-8-10-16(11-9-15)21(19,20)18-13(4)14(6-2)7-3/h8-11,13-14,17-18H,5-7,12H2,1-4H3
InChIKeyFQRWVIFPJMESGV-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.61
Rot. Bonds9

About N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide

N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide (PubChem CID 63837919) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide
PubChem CID63837919
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NC(C)C(CC)CC)cc1
InChIInChI=1S/C16H28N2O2S/c1-5-12-17-15-8-10-16(11-9-15)21(19,20)18-13(4)14(6-2)7-3/h8-11,13-14,17-18H,5-7,12H2,1-4H3
InChIKeyFQRWVIFPJMESGV-UHFFFAOYSA-N
XLogP3.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide
CID 63836615
4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 55262110
4-(butylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383407
4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 62143037
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 63841716
N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672
N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide
CID 62147451
N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide
CID 65042766
3-(aminomethyl)-N-(3-ethylpentan-2-yl)-4-methylbenzenesulfonamide
CID 106063338
N-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline
CID 63838875
4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979761

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide (CID 63837919) is N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)NC(C)C(CC)CC)cc1.
What is the InChIKey of N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide?
The InChIKey is FQRWVIFPJMESGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-5-12-17-15-8-10-16(11-9-15)21(19,20)18-13(4)14(6-2)7-3/h8-11,13-14,17-18H,5-7,12H2,1-4H3.
What are the key properties of N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide?
N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 63837919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).