N-[(4-phenyloxan-4-yl)methyl]thiophene-2-sulfonamide

C16H19NO3S2 — CID 27450227

IUPACN-[(4-phenyloxan-4-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1(c2ccccc2)CCOCC1)c1cccs1
InChIInChI=1S/C16H19NO3S2/c18-22(19,15-7-4-12-21-15)17-13-16(8-10-20-11-9-16)14-5-2-1-3-6-14/h1-7,12,17H,8-11,13H2
InChIKeyPVDTXAHIDLWHSK-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.77
Rot. Bonds5

About N-[(4-phenyloxan-4-yl)methyl]thiophene-2-sulfonamide

N-[(4-phenyloxan-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 27450227) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[(4-phenyloxan-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-phenyloxan-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID27450227
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC NameN-[(4-phenyloxan-4-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1(c2ccccc2)CCOCC1)c1cccs1
InChIInChI=1S/C16H19NO3S2/c18-22(19,15-7-4-12-21-15)17-13-16(8-10-20-11-9-16)14-5-2-1-3-6-14/h1-7,12,17H,8-11,13H2
InChIKeyPVDTXAHIDLWHSK-UHFFFAOYSA-N
XLogP2.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyloxan-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(4-phenyloxan-4-yl)methyl]thiophene-2-sulfonamide (CID 27450227) is N-[(4-phenyloxan-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-phenyloxan-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-phenyloxan-4-yl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCC1(c2ccccc2)CCOCC1)c1cccs1.
What is the InChIKey of N-[(4-phenyloxan-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is PVDTXAHIDLWHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c18-22(19,15-7-4-12-21-15)17-13-16(8-10-20-11-9-16)14-5-2-1-3-6-14/h1-7,12,17H,8-11,13H2.
What are the key properties of N-[(4-phenyloxan-4-yl)methyl]thiophene-2-sulfonamide?
N-[(4-phenyloxan-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 337.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyloxan-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 27450227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).