5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide

C19H23ClN2O3S — CID 71730040

IUPAC5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-25-18-10-7-16(20)13-19(18)26(23,24)21-17-8-5-15(6-9-17)14-22-11-3-2-4-12-22/h5-10,13,21H,2-4,11-12,14H2,1H3
InChIKeyCFSFFCOLHLSDRA-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.14
Rot. Bonds6

About 5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide

5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 71730040) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID71730040
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-25-18-10-7-16(20)13-19(18)26(23,24)21-17-8-5-15(6-9-17)14-22-11-3-2-4-12-22/h5-10,13,21H,2-4,11-12,14H2,1H3
InChIKeyCFSFFCOLHLSDRA-UHFFFAOYSA-N
XLogP4.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide
CID 71584157
1-[(5-Chloro-2-ethoxyphenyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 1179548
1-(5-Chloro-2-ethoxybenzenesulfonyl)-4-(3,4-dimethylphenyl)piperazine
CID 1290133
1-(5-Chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 2280662
3-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 5190874
5-chloro-2-methoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
CID 44526711
1-(3-Chlorophenyl)-4-[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1260303
N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
CID 1339272
4-((5-chloro-2-methoxyphenylsulfonamido)methyl)-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 49686724
1-(5-chloro-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 747343
(E)-N-(2-(((3-(4-Chlorophenyl)allyl)(methyl)amino)methyl)phenyl)-4-methoxybenzenesulfonamide
CID 5353702
Piperazine, 1-((5-chloro-2-methoxyphenyl)sulfonyl)-4-(phenylmethyl)-
CID 1122739

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide (CID 71730040) is 5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is CFSFFCOLHLSDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-25-18-10-7-16(20)13-19(18)26(23,24)21-17-8-5-15(6-9-17)14-22-11-3-2-4-12-22/h5-10,13,21H,2-4,11-12,14H2,1H3.
What are the key properties of 5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 394.92 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 71730040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).