N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide

C17H24FNO4S — CID 170119509

IUPACN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1(c2ccc(F)c(OCC3CC3)c2)CC1
InChIInChI=1S/C17H24FNO4S/c1-22-9-2-10-24(20,21)19-17(7-8-17)14-5-6-15(18)16(11-14)23-12-13-3-4-13/h5-6,11,13,19H,2-4,7-10,12H2,1H3
InChIKeyVUBWFDSORIHSTQ-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.56
Rot. Bonds10

About N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide

N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide (PubChem CID 170119509) has the molecular formula C17H24FNO4S and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide
PubChem CID170119509
Molecular FormulaC17H24FNO4S
Molecular Weight357.45 g/mol
Exact Mass357.14
IUPAC NameN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1(c2ccc(F)c(OCC3CC3)c2)CC1
InChIInChI=1S/C17H24FNO4S/c1-22-9-2-10-24(20,21)19-17(7-8-17)14-5-6-15(18)16(11-14)23-12-13-3-4-13/h5-6,11,13,19H,2-4,7-10,12H2,1H3
InChIKeyVUBWFDSORIHSTQ-UHFFFAOYSA-N
XLogP2.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide (CID 170119509) is N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NC1(c2ccc(F)c(OCC3CC3)c2)CC1.
What is the InChIKey of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide?
The InChIKey is VUBWFDSORIHSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO4S/c1-22-9-2-10-24(20,21)19-17(7-8-17)14-5-6-15(18)16(11-14)23-12-13-3-4-13/h5-6,11,13,19H,2-4,7-10,12H2,1H3.
What are the key properties of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide?
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide has a molecular weight of 357.45 g/mol, XLogP of 2.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 170119509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).