N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide

C16H28N2O2S — CID 3732088

IUPACN-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide
SMILESCCN(CC)CCCC(C)NS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C16H28N2O2S/c1-5-18(6-2)12-8-10-15(4)17-21(19,20)16-11-7-9-14(3)13-16/h7,9,11,13,15,17H,5-6,8,10,12H2,1-4H3
InChIKeyXFPRIGOPLGOWAK-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.78
Rot. Bonds9

About N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide

N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide (PubChem CID 3732088) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide
PubChem CID3732088
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide
SMILESCCN(CC)CCCC(C)NS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C16H28N2O2S/c1-5-18(6-2)12-8-10-15(4)17-21(19,20)16-11-7-9-14(3)13-16/h7,9,11,13,15,17H,5-6,8,10,12H2,1-4H3
InChIKeyXFPRIGOPLGOWAK-UHFFFAOYSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 8716846
N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide
CID 40537050
N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide
CID 3679423
N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide
CID 114294358
N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide
CID 98788188
N-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7602577
2-chloro-5-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]benzoic acid
CID 100820173
4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 8000367
N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide
CID 61466426
3-bromo-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510419
N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
CID 60642968
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide (CID 3732088) is N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide is CCN(CC)CCCC(C)NS(=O)(=O)c1cccc(C)c1.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide?
The InChIKey is XFPRIGOPLGOWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-5-18(6-2)12-8-10-15(4)17-21(19,20)16-11-7-9-14(3)13-16/h7,9,11,13,15,17H,5-6,8,10,12H2,1-4H3.
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide?
N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 3732088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).