2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide

C19H21ClN2O4S — CID 26914652

IUPAC2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCOc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1
InChIInChI=1S/C19H21ClN2O4S/c1-26-15-7-5-6-14(12-15)21-19(23)17-13-16(8-9-18(17)20)27(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23)
InChIKeyMYZOQPXSURHYJJ-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.78
Rot. Bonds5

About 2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide

2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 26914652) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID26914652
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCOc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1
InChIInChI=1S/C19H21ClN2O4S/c1-26-15-7-5-6-14(12-15)21-19(23)17-13-16(8-9-18(17)20)27(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23)
InChIKeyMYZOQPXSURHYJJ-UHFFFAOYSA-N
XLogP3.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26914552
2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55563879
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
5-(azepan-1-ylsulfonyl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide
CID 46387461
2-chloro-N-(3,4-dimethoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26364818
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26822918
methyl 2-chloro-5-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 38238302
3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385815
N-(3-acetamidophenyl)-5-(azepan-1-ylsulfonyl)-2-methoxybenzamide
CID 26114551
2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 1381657
2-methoxy-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759835

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide (CID 26914652) is 2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide is COc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is MYZOQPXSURHYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-26-15-7-5-6-14(12-15)21-19(23)17-13-16(8-9-18(17)20)27(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide?
2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 408.91 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26914652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).