3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide

C15H25BrN2O2S — CID 8716846

IUPAC3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
SMILESCCN(CC)CCC[C@H](C)NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H25BrN2O2S/c1-4-18(5-2)11-7-8-13(3)17-21(19,20)15-10-6-9-14(16)12-15/h6,9-10,12-13,17H,4-5,7-8,11H2,1-3H3/t13-/m0/s1
InChIKeyRRDGFHFUXHQBNW-ZDUSSCGKSA-N
MW377.35 g/mol
LogP3.24
Rot. Bonds9

About 3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide

3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide (PubChem CID 8716846) has the molecular formula C15H25BrN2O2S and a molecular weight of 377.35 g/mol. Its IUPAC name is 3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
PubChem CID8716846
Molecular FormulaC15H25BrN2O2S
Molecular Weight377.35 g/mol
Exact Mass376.08
IUPAC Name3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
SMILESCCN(CC)CCC[C@H](C)NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H25BrN2O2S/c1-4-18(5-2)11-7-8-13(3)17-21(19,20)15-10-6-9-14(16)12-15/h6,9-10,12-13,17H,4-5,7-8,11H2,1-3H3/t13-/m0/s1
InChIKeyRRDGFHFUXHQBNW-ZDUSSCGKSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide
CID 3732088
3-bromo-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510419
3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide
CID 7510199
N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide
CID 40537050
N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide
CID 3679423
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
3-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64642680
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
5-bromo-4-chloro-N-[5-(diethylamino)pentan-2-yl]thiophene-2-sulfonamide
CID 80577767
N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide
CID 61466426

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide?
The IUPAC name of 3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide (CID 8716846) is 3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide is CCN(CC)CCC[C@H](C)NS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide?
The InChIKey is RRDGFHFUXHQBNW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25BrN2O2S/c1-4-18(5-2)11-7-8-13(3)17-21(19,20)15-10-6-9-14(16)12-15/h6,9-10,12-13,17H,4-5,7-8,11H2,1-3H3/t13-/m0/s1.
What are the key properties of 3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide?
3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide has a molecular weight of 377.35 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 8716846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).