N-(4-chlorophenyl)sulfonyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanecarboxamide

C16H22ClNO4S — CID 100676001

IUPACN-(4-chlorophenyl)sulfonyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanecarboxamide
SMILESCC(C)(C)OCCN(C(=O)C1CC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO4S/c1-16(2,3)22-11-10-18(15(19)12-4-5-12)23(20,21)14-8-6-13(17)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyKTJAMXPOAAWDDJ-UHFFFAOYSA-N
MW359.88 g/mol
LogP3.08
Rot. Bonds6

About N-(4-chlorophenyl)sulfonyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanecarboxamide

N-(4-chlorophenyl)sulfonyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanecarboxamide (PubChem CID 100676001) has the molecular formula C16H22ClNO4S and a molecular weight of 359.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanecarboxamide
PubChem CID100676001
Molecular FormulaC16H22ClNO4S
Molecular Weight359.88 g/mol
Exact Mass359.10
IUPAC NameN-(4-chlorophenyl)sulfonyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanecarboxamide
SMILESCC(C)(C)OCCN(C(=O)C1CC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO4S/c1-16(2,3)22-11-10-18(15(19)12-4-5-12)23(20,21)14-8-6-13(17)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyKTJAMXPOAAWDDJ-UHFFFAOYSA-N
XLogP3.08
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanecarboxamide (CID 100676001) is N-(4-chlorophenyl)sulfonyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanecarboxamide is CC(C)(C)OCCN(C(=O)C1CC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanecarboxamide?
The InChIKey is KTJAMXPOAAWDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO4S/c1-16(2,3)22-11-10-18(15(19)12-4-5-12)23(20,21)14-8-6-13(17)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of N-(4-chlorophenyl)sulfonyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanecarboxamide?
N-(4-chlorophenyl)sulfonyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanecarboxamide has a molecular weight of 359.88 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 100676001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).