4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

C15H21ClN2O3S — CID 78774378

IUPAC4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC2)c1
InChIInChI=1S/C15H21ClN2O3S/c1-3-18(4-2)22(20,21)12-7-8-14(16)13(11-12)15(19)17-9-5-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyUDROXXUUXHGZRR-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.61
Rot. Bonds5

About 4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 78774378) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID78774378
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC2)c1
InChIInChI=1S/C15H21ClN2O3S/c1-3-18(4-2)22(20,21)12-7-8-14(16)13(11-12)15(19)17-9-5-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyUDROXXUUXHGZRR-UHFFFAOYSA-N
XLogP2.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide
CID 78802366
3-(4-benzoylpiperidine-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide
CID 26080208
3-(azocane-1-carbonyl)-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 51145580
2-chloro-5-(diethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364284
2-chloro-5-(diethylsulfamoyl)-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 55803113
4-chloro-N,N-diethyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 31328097
(2S)-1-[2-chloro-5-(diethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 41273093
2-chloro-5-(diethylsulfamoyl)benzoate
CID 4206054
N,N-diethyl-4-methyl-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55340112
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone
CID 1069862
4-chloro-N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 60525436
N,N-diethyl-4-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 60559116

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 78774378) is 4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC2)c1.
What is the InChIKey of 4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is UDROXXUUXHGZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-3-18(4-2)22(20,21)12-7-8-14(16)13(11-12)15(19)17-9-5-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 344.86 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 78774378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).