N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide

C20H24N2O5S2 — CID 1350854

IUPACN-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(=O)C3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O5S2/c1-15-7-11-18(12-8-15)28(24,25)21-17-9-13-19(14-10-17)29(26,27)22-20(23)16-5-3-2-4-6-16/h7-14,16,21H,2-6H2,1H3,(H,22,23)
InChIKeyUANKJNZTZHUQIO-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.18
Rot. Bonds6

About N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide

N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide (PubChem CID 1350854) has the molecular formula C20H24N2O5S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide
PubChem CID1350854
Molecular FormulaC20H24N2O5S2
Molecular Weight436.56 g/mol
Exact Mass436.11
IUPAC NameN-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(=O)C3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O5S2/c1-15-7-11-18(12-8-15)28(24,25)21-17-9-13-19(14-10-17)29(26,27)22-20(23)16-5-3-2-4-6-16/h7-14,16,21H,2-6H2,1H3,(H,22,23)
InChIKeyUANKJNZTZHUQIO-UHFFFAOYSA-N
XLogP3.18
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205
N-pyridin-4-ylsulfonylcyclohexanecarboxamide
CID 71911683
trans-(1S,2S)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6958871
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 2649885
N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 46384573
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 46454888
N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide
CID 169370677
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19061824
3-methylidene-1-N,2-N-bis[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1,2-dicarboxamide
CID 5216824

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide?
The IUPAC name of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide (CID 1350854) is N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide?
The canonical SMILES for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide is Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(=O)C3CCCCC3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide?
The InChIKey is UANKJNZTZHUQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S2/c1-15-7-11-18(12-8-15)28(24,25)21-17-9-13-19(14-10-17)29(26,27)22-20(23)16-5-3-2-4-6-16/h7-14,16,21H,2-6H2,1H3,(H,22,23).
What are the key properties of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide?
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide is sourced from PubChem (CID 1350854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).