N,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide

C19H29ClN2O3S — CID 2359100

IUPACN,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCCN(CCCC)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H29ClN2O3S/c1-3-5-11-21(12-6-4-2)19(23)16-9-10-17(20)18(15-16)26(24,25)22-13-7-8-14-22/h9-10,15H,3-8,11-14H2,1-2H3
InChIKeyWZCFSGFHTOMPTA-UHFFFAOYSA-N
MW400.97 g/mol
LogP4.17
Rot. Bonds9

About N,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide

N,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2359100) has the molecular formula C19H29ClN2O3S and a molecular weight of 400.97 g/mol. Its IUPAC name is N,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2359100
Molecular FormulaC19H29ClN2O3S
Molecular Weight400.97 g/mol
Exact Mass400.16
IUPAC NameN,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCCN(CCCC)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H29ClN2O3S/c1-3-5-11-21(12-6-4-2)19(23)16-9-10-17(20)18(15-16)26(24,25)22-13-7-8-14-22/h9-10,15H,3-8,11-14H2,1-2H3
InChIKeyWZCFSGFHTOMPTA-UHFFFAOYSA-N
XLogP4.17
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.97
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 78856093
4-chloro-N,N-diethyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25247053
N-butyl-4-chloro-N-(2-hydroxyethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 78856032
4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 134057878
N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 52539969
4-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 47829927
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 60555557
N-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 60592193
4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9226980
3-(azepan-1-ylsulfonyl)-4-chloro-N-methyl-N-(2-methylpropyl)benzamide
CID 134058564
4-chloro-N-methyl-N-(2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 134058596
4-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43028000

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide (CID 2359100) is N,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide is CCCCN(CCCC)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is WZCFSGFHTOMPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O3S/c1-3-5-11-21(12-6-4-2)19(23)16-9-10-17(20)18(15-16)26(24,25)22-13-7-8-14-22/h9-10,15H,3-8,11-14H2,1-2H3.
What are the key properties of N,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide?
N,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 400.97 g/mol, XLogP of 4.17, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2359100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).