N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide

C21H30N2O2S — CID 3679423

IUPACN-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide
SMILESCCN(CC)CCCC(C)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H30N2O2S/c1-4-23(5-2)17-9-10-18(3)22-26(24,25)21-15-13-20(14-16-21)19-11-7-6-8-12-19/h6-8,11-16,18,22H,4-5,9-10,17H2,1-3H3
InChIKeySADVIZRXDNNKFZ-UHFFFAOYSA-N
MW374.55 g/mol
LogP4.14
Rot. Bonds10

About N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide

N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide (PubChem CID 3679423) has the molecular formula C21H30N2O2S and a molecular weight of 374.55 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide
PubChem CID3679423
Molecular FormulaC21H30N2O2S
Molecular Weight374.55 g/mol
Exact Mass374.20
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide
SMILESCCN(CC)CCCC(C)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H30N2O2S/c1-4-23(5-2)17-9-10-18(3)22-26(24,25)21-15-13-20(14-16-21)19-11-7-6-8-12-19/h6-8,11-16,18,22H,4-5,9-10,17H2,1-3H3
InChIKeySADVIZRXDNNKFZ-UHFFFAOYSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide
CID 40537050
N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide
CID 98788188
4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 8000367
N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide
CID 3732088
3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 8716846
2-chloro-5-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]benzoic acid
CID 100820173
N-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7602577
N-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide
CID 97051720
N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
CID 60642968
N-(5-bromopentan-2-yl)-4-methylbenzenesulfonamide
CID 114294982
N-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide
CID 7600988
N-(1-aminoethyl)-4-phenylbenzenesulfonamide;hydrochloride
CID 175511527

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide (CID 3679423) is N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide is CCN(CC)CCCC(C)NS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide?
The InChIKey is SADVIZRXDNNKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2S/c1-4-23(5-2)17-9-10-18(3)22-26(24,25)21-15-13-20(14-16-21)19-11-7-6-8-12-19/h6-8,11-16,18,22H,4-5,9-10,17H2,1-3H3.
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide?
N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide has a molecular weight of 374.55 g/mol, XLogP of 4.14, 10 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]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 3679423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).