N-tert-butyl-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide

C14H18ClNO3S — CID 3474445

IUPACN-tert-butyl-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClNO3S/c1-13(2,3)16-12(17)14(8-9-14)20(18,19)11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyRRRCDNBJJNATGI-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.56
Rot. Bonds3

About N-tert-butyl-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide

N-tert-butyl-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 3474445) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is N-tert-butyl-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
PubChem CID3474445
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC NameN-tert-butyl-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClNO3S/c1-13(2,3)16-12(17)14(8-9-14)20(18,19)11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyRRRCDNBJJNATGI-UHFFFAOYSA-N
XLogP2.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of N-tert-butyl-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide (CID 3474445) is N-tert-butyl-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for N-tert-butyl-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide is CC(C)(C)NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-tert-butyl-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is RRRCDNBJJNATGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-13(2,3)16-12(17)14(8-9-14)20(18,19)11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-tert-butyl-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide?
N-tert-butyl-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 315.82 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 3474445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).