N-(2-chlorophenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide

C18H22ClN3O3S — CID 20945368

IUPACN-(2-chlorophenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCc1c(C(=O)N2CCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c(C)n1C
InChIInChI=1S/C18H22ClN3O3S/c1-12-16(18(23)22-10-6-7-11-22)17(13(2)21(12)3)26(24,25)20-15-9-5-4-8-14(15)19/h4-5,8-9,20H,6-7,10-11H2,1-3H3
InChIKeyXQGDWUSPTBAHFN-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.33
Rot. Bonds4

About N-(2-chlorophenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide

N-(2-chlorophenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide (PubChem CID 20945368) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
PubChem CID20945368
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC NameN-(2-chlorophenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCc1c(C(=O)N2CCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c(C)n1C
InChIInChI=1S/C18H22ClN3O3S/c1-12-16(18(23)22-10-6-7-11-22)17(13(2)21(12)3)26(24,25)20-15-9-5-4-8-14(15)19/h4-5,8-9,20H,6-7,10-11H2,1-3H3
InChIKeyXQGDWUSPTBAHFN-UHFFFAOYSA-N
XLogP3.33
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide (CID 20945368) is N-(2-chlorophenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide is Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c(C)n1C.
What is the InChIKey of N-(2-chlorophenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The InChIKey is XQGDWUSPTBAHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-12-16(18(23)22-10-6-7-11-22)17(13(2)21(12)3)26(24,25)20-15-9-5-4-8-14(15)19/h4-5,8-9,20H,6-7,10-11H2,1-3H3.
What are the key properties of N-(2-chlorophenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
N-(2-chlorophenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide has a molecular weight of 395.91 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 20945368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).