N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide

C17H27ClN2O2S — CID 70939433

IUPACN-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(CNc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H27ClN2O2S/c1-17(2,3)23(21,22)20-16-8-4-13(5-9-16)12-19-15-10-6-14(18)7-11-15/h6-7,10-11,13,16,19-20H,4-5,8-9,12H2,1-3H3
InChIKeyZLENIDARTKSCCM-UHFFFAOYSA-N
MW358.94 g/mol
LogP4.03
Rot. Bonds5

About N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide

N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide (PubChem CID 70939433) has the molecular formula C17H27ClN2O2S and a molecular weight of 358.94 g/mol. Its IUPAC name is N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
PubChem CID70939433
Molecular FormulaC17H27ClN2O2S
Molecular Weight358.94 g/mol
Exact Mass358.15
IUPAC NameN-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(CNc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H27ClN2O2S/c1-17(2,3)23(21,22)20-16-8-4-13(5-9-16)12-19-15-10-6-14(18)7-11-15/h6-7,10-11,13,16,19-20H,4-5,8-9,12H2,1-3H3
InChIKeyZLENIDARTKSCCM-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.94
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide (CID 70939433) is N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1CCC(CNc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The InChIKey is ZLENIDARTKSCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O2S/c1-17(2,3)23(21,22)20-16-8-4-13(5-9-16)12-19-15-10-6-14(18)7-11-15/h6-7,10-11,13,16,19-20H,4-5,8-9,12H2,1-3H3.
What are the key properties of N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide has a molecular weight of 358.94 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 70939433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).