4-chloro-N-methyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide

C22H27ClN2O3S — CID 26686490

IUPAC4-chloro-N-methyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)[C@@H](C)c3ccccc3)ccc2Cl)C1
InChIInChI=1S/C22H27ClN2O3S/c1-16-8-7-13-25(15-16)29(27,28)21-14-19(11-12-20(21)23)22(26)24(3)17(2)18-9-5-4-6-10-18/h4-6,9-12,14,16-17H,7-8,13,15H2,1-3H3/t16-,17+/m1/s1
InChIKeyKHKIMAMHXXRYJP-SJORKVTESA-N
MW434.99 g/mol
LogP4.59
Rot. Bonds5

About 4-chloro-N-methyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide

4-chloro-N-methyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 26686490) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide
PubChem CID26686490
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC Name4-chloro-N-methyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)[C@@H](C)c3ccccc3)ccc2Cl)C1
InChIInChI=1S/C22H27ClN2O3S/c1-16-8-7-13-25(15-16)29(27,28)21-14-19(11-12-20(21)23)22(26)24(3)17(2)18-9-5-4-6-10-18/h4-6,9-12,14,16-17H,7-8,13,15H2,1-3H3/t16-,17+/m1/s1
InChIKeyKHKIMAMHXXRYJP-SJORKVTESA-N
XLogP4.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-methyl-3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 43021977
[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate
CID 3582523
[1-(benzylamino)-1-oxopropan-2-yl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate
CID 42969411
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate
CID 46810950
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 46598939
N-butyl-4-chloro-N-(2-hydroxyethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 78856032
(4-methoxyphenyl) 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate
CID 18207366
4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 55612530
4-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 51889196
(2-oxo-2-propan-2-yloxyethyl) 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate
CID 24530164
1-(2,5-dichlorophenyl)sulfonyl-N-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 43022044
[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylphenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 78799951

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 4-chloro-N-methyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide (CID 26686490) is 4-chloro-N-methyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-chloro-N-methyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 4-chloro-N-methyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide is C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)[C@@H](C)c3ccccc3)ccc2Cl)C1.
What is the InChIKey of 4-chloro-N-methyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is KHKIMAMHXXRYJP-SJORKVTESA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c1-16-8-7-13-25(15-16)29(27,28)21-14-19(11-12-20(21)23)22(26)24(3)17(2)18-9-5-4-6-10-18/h4-6,9-12,14,16-17H,7-8,13,15H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of 4-chloro-N-methyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide?
4-chloro-N-methyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 434.99 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 26686490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).