N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(oxolan-3-yl)methanesulfonamide

C16H22ClNO3S — CID 71997249

IUPACN-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(oxolan-3-yl)methanesulfonamide
SMILESCC1CC1C(NS(=O)(=O)CC1CCOC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO3S/c1-11-8-15(11)16(13-2-4-14(17)5-3-13)18-22(19,20)10-12-6-7-21-9-12/h2-5,11-12,15-16,18H,6-10H2,1H3
InChIKeyVVKMFUKCQHQLLB-UHFFFAOYSA-N
MW343.88 g/mol
LogP2.99
Rot. Bonds6

About N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(oxolan-3-yl)methanesulfonamide

N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(oxolan-3-yl)methanesulfonamide (PubChem CID 71997249) has the molecular formula C16H22ClNO3S and a molecular weight of 343.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(oxolan-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(oxolan-3-yl)methanesulfonamide
PubChem CID71997249
Molecular FormulaC16H22ClNO3S
Molecular Weight343.88 g/mol
Exact Mass343.10
IUPAC NameN-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(oxolan-3-yl)methanesulfonamide
SMILESCC1CC1C(NS(=O)(=O)CC1CCOC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO3S/c1-11-8-15(11)16(13-2-4-14(17)5-3-13)18-22(19,20)10-12-6-7-21-9-12/h2-5,11-12,15-16,18H,6-10H2,1H3
InChIKeyVVKMFUKCQHQLLB-UHFFFAOYSA-N
XLogP2.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(oxolan-3-yl)methanesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(oxolan-3-yl)methanesulfonamide (CID 71997249) is N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(oxolan-3-yl)methanesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(oxolan-3-yl)methanesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(oxolan-3-yl)methanesulfonamide is CC1CC1C(NS(=O)(=O)CC1CCOC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(oxolan-3-yl)methanesulfonamide?
The InChIKey is VVKMFUKCQHQLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3S/c1-11-8-15(11)16(13-2-4-14(17)5-3-13)18-22(19,20)10-12-6-7-21-9-12/h2-5,11-12,15-16,18H,6-10H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(oxolan-3-yl)methanesulfonamide?
N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(oxolan-3-yl)methanesulfonamide has a molecular weight of 343.88 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(oxolan-3-yl)methanesulfonamide is sourced from PubChem (CID 71997249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).