N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide

C19H22ClN3O3S — CID 146649764

IUPACN-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide
SMILESCS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(N3CCCC3)cc2)c(Cl)c1
InChIInChI=1S/C19H22ClN3O3S/c1-27(25,26)22-16-7-4-15(18(20)12-16)13-21-19(24)14-5-8-17(9-6-14)23-10-2-3-11-23/h4-9,12,22H,2-3,10-11,13H2,1H3,(H,21,24)
InChIKeyIZUGBXYWEQVSDD-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.24
Rot. Bonds6

About N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide

N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide (PubChem CID 146649764) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide
PubChem CID146649764
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC NameN-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide
SMILESCS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(N3CCCC3)cc2)c(Cl)c1
InChIInChI=1S/C19H22ClN3O3S/c1-27(25,26)22-16-7-4-15(18(20)12-16)13-21-19(24)14-5-8-17(9-6-14)23-10-2-3-11-23/h4-9,12,22H,2-3,10-11,13H2,1H3,(H,21,24)
InChIKeyIZUGBXYWEQVSDD-UHFFFAOYSA-N
XLogP3.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide (CID 146649764) is N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide is CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(N3CCCC3)cc2)c(Cl)c1.
What is the InChIKey of N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is IZUGBXYWEQVSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-27(25,26)22-16-7-4-15(18(20)12-16)13-21-19(24)14-5-8-17(9-6-14)23-10-2-3-11-23/h4-9,12,22H,2-3,10-11,13H2,1H3,(H,21,24).
What are the key properties of N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide?
N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 407.92 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 146649764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).