2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-3-ylmethyl)acetamide

C20H24ClN3O3S — CID 1154648

IUPAC2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCc1cccnc1
InChIInChI=1S/C20H24ClN3O3S/c21-17-8-10-19(11-9-17)28(26,27)24(18-6-2-1-3-7-18)15-20(25)23-14-16-5-4-12-22-13-16/h4-5,8-13,18H,1-3,6-7,14-15H2,(H,23,25)
InChIKeyMVEXIWWEWKVMGW-UHFFFAOYSA-N
MW421.95 g/mol
LogP3.37
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-3-ylmethyl)acetamide

2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 1154648) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID1154648
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC Name2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCc1cccnc1
InChIInChI=1S/C20H24ClN3O3S/c21-17-8-10-19(11-9-17)28(26,27)24(18-6-2-1-3-7-18)15-20(25)23-14-16-5-4-12-22-13-16/h4-5,8-13,18H,1-3,6-7,14-15H2,(H,23,25)
InChIKeyMVEXIWWEWKVMGW-UHFFFAOYSA-N
XLogP3.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-Chlorophenyl)sulfonylpiperidin-2-yl]pyridine
CID 2894141
1-(4-Chloro-benzenesulfonyl)-4-pyridin-3-ylmethyl-piperazine
CID 600536
4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 710402
2-[cyclohexyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 964127
2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 2991744
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-pyridin-3-ylacetamide
CID 4879904
1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 649951
1-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 6462258
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide
CID 987988
8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-yl-propyl)-octanoic acid amide
CID 10072535
4-{[[(4-chlorophenyl)sulfonyl](pyridin-2-ylmethyl)amino]methyl}-N-(cyclopropylmethyl)benzamide
CID 44253168
4-chloro-N-[(3R)-2-oxoazepan-3-yl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 44444075

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-3-ylmethyl)acetamide (CID 1154648) is 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-3-ylmethyl)acetamide is O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCc1cccnc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is MVEXIWWEWKVMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3S/c21-17-8-10-19(11-9-17)28(26,27)24(18-6-2-1-3-7-18)15-20(25)23-14-16-5-4-12-22-13-16/h4-5,8-13,18H,1-3,6-7,14-15H2,(H,23,25).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-3-ylmethyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 421.95 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 1154648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).