4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C16H26N2O2S — CID 143457102

IUPAC4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NCCN2CCCC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-3-14(2)15-6-8-16(9-7-15)21(19,20)17-10-13-18-11-4-5-12-18/h6-9,14,17H,3-5,10-13H2,1-2H3
InChIKeyLGIKTIMJABINST-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.57
Rot. Bonds7

About 4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 143457102) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID143457102
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NCCN2CCCC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-3-14(2)15-6-8-16(9-7-15)21(19,20)17-10-13-18-11-4-5-12-18/h6-9,14,17H,3-5,10-13H2,1-2H3
InChIKeyLGIKTIMJABINST-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 22204003
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 59135295
4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 62641660
4-butan-2-yl-N-(2-chloroethyl)benzenesulfonamide
CID 162435605
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 47812632
4-(1-hydroxyethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 43507444
N-[2-(azepan-1-yl)ethyl]-4-(bromomethyl)benzenesulfonamide
CID 65481222
4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973417
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 6469065
N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide
CID 2566445
4-iodo-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 4988896

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 143457102) is 4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)NCCN2CCCC2)cc1.
What is the InChIKey of 4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is LGIKTIMJABINST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-14(2)15-6-8-16(9-7-15)21(19,20)17-10-13-18-11-4-5-12-18/h6-9,14,17H,3-5,10-13H2,1-2H3.
What are the key properties of 4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 143457102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).