N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide

C22H27ClN2O6S — CID 42910845

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)N3CCCCC3C)ccc2OC)cc1Cl
InChIInChI=1S/C22H27ClN2O6S/c1-14-7-5-6-10-25(14)22(26)15-8-9-18(29-2)21(11-15)32(27,28)24-17-12-16(23)19(30-3)13-20(17)31-4/h8-9,11-14,24H,5-7,10H2,1-4H3
InChIKeyCSZSIFIPIOWJNO-UHFFFAOYSA-N
MW482.99 g/mol
LogP4.18
Rot. Bonds7

About N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 42910845) has the molecular formula C22H27ClN2O6S and a molecular weight of 482.99 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID42910845
Molecular FormulaC22H27ClN2O6S
Molecular Weight482.99 g/mol
Exact Mass482.13
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)N3CCCCC3C)ccc2OC)cc1Cl
InChIInChI=1S/C22H27ClN2O6S/c1-14-7-5-6-10-25(14)22(26)15-8-9-18(29-2)21(11-15)32(27,28)24-17-12-16(23)19(30-3)13-20(17)31-4/h8-9,11-14,24H,5-7,10H2,1-4H3
InChIKeyCSZSIFIPIOWJNO-UHFFFAOYSA-N
XLogP4.18
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 26011766
(3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 79672444
2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60637659
(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103734678
5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride
CID 119468592
5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 60574977
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 17439024
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide
CID 119467121
2-methoxy-N-methyl-5-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119472443
5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 71877292
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 7719605
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide
CID 110427928

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 42910845) is N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide is COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)N3CCCCC3C)ccc2OC)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is CSZSIFIPIOWJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O6S/c1-14-7-5-6-10-25(14)22(26)15-8-9-18(29-2)21(11-15)32(27,28)24-17-12-16(23)19(30-3)13-20(17)31-4/h8-9,11-14,24H,5-7,10H2,1-4H3.
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 482.99 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 42910845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).