N-[1-(4-chlorophenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide

C18H20ClNO2S — CID 110446037

IUPACN-[1-(4-chlorophenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2(c3ccc(Cl)cc3)CC2)c(C)c1
InChIInChI=1S/C18H20ClNO2S/c1-12-10-13(2)17(14(3)11-12)23(21,22)20-18(8-9-18)15-4-6-16(19)7-5-15/h4-7,10-11,20H,8-9H2,1-3H3
InChIKeyLNBYUCFNPMOVSQ-UHFFFAOYSA-N
MW349.88 g/mol
LogP4.23
Rot. Bonds4

About N-[1-(4-chlorophenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide

N-[1-(4-chlorophenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 110446037) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID110446037
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC NameN-[1-(4-chlorophenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2(c3ccc(Cl)cc3)CC2)c(C)c1
InChIInChI=1S/C18H20ClNO2S/c1-12-10-13(2)17(14(3)11-12)23(21,22)20-18(8-9-18)15-4-6-16(19)7-5-15/h4-7,10-11,20H,8-9H2,1-3H3
InChIKeyLNBYUCFNPMOVSQ-UHFFFAOYSA-N
XLogP4.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide (CID 110446037) is N-[1-(4-chlorophenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC2(c3ccc(Cl)cc3)CC2)c(C)c1.
What is the InChIKey of N-[1-(4-chlorophenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is LNBYUCFNPMOVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-12-10-13(2)17(14(3)11-12)23(21,22)20-18(8-9-18)15-4-6-16(19)7-5-15/h4-7,10-11,20H,8-9H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide?
N-[1-(4-chlorophenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 349.88 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 110446037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).