N-tert-butyl-5-[2-(4-chlorophenyl)azetidine-1-carbonyl]furan-2-sulfonamide

C18H21ClN2O4S — CID 75422401

IUPACN-tert-butyl-5-[2-(4-chlorophenyl)azetidine-1-carbonyl]furan-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCC2c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H21ClN2O4S/c1-18(2,3)20-26(23,24)16-9-8-15(25-16)17(22)21-11-10-14(21)12-4-6-13(19)7-5-12/h4-9,14,20H,10-11H2,1-3H3
InChIKeyLKMQGHFCMLKZLB-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.60
Rot. Bonds4

About N-tert-butyl-5-[2-(4-chlorophenyl)azetidine-1-carbonyl]furan-2-sulfonamide

N-tert-butyl-5-[2-(4-chlorophenyl)azetidine-1-carbonyl]furan-2-sulfonamide (PubChem CID 75422401) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-tert-butyl-5-[2-(4-chlorophenyl)azetidine-1-carbonyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-[2-(4-chlorophenyl)azetidine-1-carbonyl]furan-2-sulfonamide
PubChem CID75422401
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-tert-butyl-5-[2-(4-chlorophenyl)azetidine-1-carbonyl]furan-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCC2c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H21ClN2O4S/c1-18(2,3)20-26(23,24)16-9-8-15(25-16)17(22)21-11-10-14(21)12-4-6-13(19)7-5-12/h4-9,14,20H,10-11H2,1-3H3
InChIKeyLKMQGHFCMLKZLB-UHFFFAOYSA-N
XLogP3.60
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[2-(4-chlorophenyl)azetidine-1-carbonyl]furan-2-sulfonamide?
The IUPAC name of N-tert-butyl-5-[2-(4-chlorophenyl)azetidine-1-carbonyl]furan-2-sulfonamide (CID 75422401) is N-tert-butyl-5-[2-(4-chlorophenyl)azetidine-1-carbonyl]furan-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-5-[2-(4-chlorophenyl)azetidine-1-carbonyl]furan-2-sulfonamide?
The canonical SMILES for N-tert-butyl-5-[2-(4-chlorophenyl)azetidine-1-carbonyl]furan-2-sulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCC2c2ccc(Cl)cc2)o1.
What is the InChIKey of N-tert-butyl-5-[2-(4-chlorophenyl)azetidine-1-carbonyl]furan-2-sulfonamide?
The InChIKey is LKMQGHFCMLKZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-18(2,3)20-26(23,24)16-9-8-15(25-16)17(22)21-11-10-14(21)12-4-6-13(19)7-5-12/h4-9,14,20H,10-11H2,1-3H3.
What are the key properties of N-tert-butyl-5-[2-(4-chlorophenyl)azetidine-1-carbonyl]furan-2-sulfonamide?
N-tert-butyl-5-[2-(4-chlorophenyl)azetidine-1-carbonyl]furan-2-sulfonamide has a molecular weight of 396.90 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[2-(4-chlorophenyl)azetidine-1-carbonyl]furan-2-sulfonamide is sourced from PubChem (CID 75422401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).