1-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide

C18H21ClN2O5S2 — CID 99949913

IUPAC1-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O5S2/c1-26-18-9-8-16(28(24,25)21-10-2-3-11-21)12-17(18)20-27(22,23)13-14-4-6-15(19)7-5-14/h4-9,12,20H,2-3,10-11,13H2,1H3
InChIKeyALOBAYIYGZMJPM-UHFFFAOYSA-N
MW444.96 g/mol
LogP3.08
Rot. Bonds7

About 1-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide

1-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide (PubChem CID 99949913) has the molecular formula C18H21ClN2O5S2 and a molecular weight of 444.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
PubChem CID99949913
Molecular FormulaC18H21ClN2O5S2
Molecular Weight444.96 g/mol
Exact Mass444.06
IUPAC Name1-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O5S2/c1-26-18-9-8-16(28(24,25)21-10-2-3-11-21)12-17(18)20-27(22,23)13-14-4-6-15(19)7-5-14/h4-9,12,20H,2-3,10-11,13H2,1H3
InChIKeyALOBAYIYGZMJPM-UHFFFAOYSA-N
XLogP3.08
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-ethylbenzenesulfonamide
CID 29099743
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92676121
2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92683960
4-fluoro-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 28565941
3-bromo-4-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 46772852
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17338184
N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100541707
2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92678134
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
4-acetyl-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzenesulfonamide
CID 4968859
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide (CID 99949913) is 1-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide is COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide?
The InChIKey is ALOBAYIYGZMJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5S2/c1-26-18-9-8-16(28(24,25)21-10-2-3-11-21)12-17(18)20-27(22,23)13-14-4-6-15(19)7-5-14/h4-9,12,20H,2-3,10-11,13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide?
1-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide has a molecular weight of 444.96 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide is sourced from PubChem (CID 99949913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).