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

C19H25N3O3S — CID 20945137

IUPACN,2,5-trimethyl-N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)c1
InChIInChI=1S/C19H25N3O3S/c1-13-8-7-9-16(12-13)21(4)26(24,25)18-15(3)20-14(2)17(18)19(23)22-10-5-6-11-22/h7-9,12,20H,5-6,10-11H2,1-4H3
InChIKeyVNRDGJBZDYHZOQ-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.00
Rot. Bonds4

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

N,2,5-trimethyl-N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 20945137) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N,2,5-trimethyl-N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID20945137
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN,2,5-trimethyl-N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)c1
InChIInChI=1S/C19H25N3O3S/c1-13-8-7-9-16(12-13)21(4)26(24,25)18-15(3)20-14(2)17(18)19(23)22-10-5-6-11-22/h7-9,12,20H,5-6,10-11H2,1-4H3
InChIKeyVNRDGJBZDYHZOQ-UHFFFAOYSA-N
XLogP3.00
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N,2,5-trimethyl-N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 20945137) is N,2,5-trimethyl-N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N,2,5-trimethyl-N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N,2,5-trimethyl-N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is Cc1cccc(N(C)S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)c1.
What is the InChIKey of N,2,5-trimethyl-N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is VNRDGJBZDYHZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-13-8-7-9-16(12-13)21(4)26(24,25)18-15(3)20-14(2)17(18)19(23)22-10-5-6-11-22/h7-9,12,20H,5-6,10-11H2,1-4H3.
What are the key properties of N,2,5-trimethyl-N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N,2,5-trimethyl-N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 375.49 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 20945137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).