oxathiaziridine;bis(N-phenylbutane-1-sulfonamide)

C20H31N3O5S3 — CID 175405925

IUPACoxathiaziridine;bis(N-phenylbutane-1-sulfonamide)
SMILESCCCCS(=O)(=O)Nc1ccccc1.CCCCS(=O)(=O)Nc1ccccc1.[nH]1os1
InChIInChI=1S/2C10H15NO2S.HNOS/c2*1-2-3-9-14(12,13)11-10-7-5-4-6-8-10;1-2-3-1/h2*4-8,11H,2-3,9H2,1H3;1H
InChIKeyAGKXORJIKCENIP-UHFFFAOYSA-N
MW489.69 g/mol
LogP5.13
Rot. Bonds10

About oxathiaziridine;bis(N-phenylbutane-1-sulfonamide)

oxathiaziridine;bis(N-phenylbutane-1-sulfonamide) (PubChem CID 175405925) has the molecular formula C20H31N3O5S3 and a molecular weight of 489.69 g/mol. Its IUPAC name is oxathiaziridine;bis(N-phenylbutane-1-sulfonamide).

Molecular Properties

Compound Nameoxathiaziridine;bis(N-phenylbutane-1-sulfonamide)
PubChem CID175405925
Molecular FormulaC20H31N3O5S3
Molecular Weight489.69 g/mol
Exact Mass489.14
IUPAC Nameoxathiaziridine;bis(N-phenylbutane-1-sulfonamide)
SMILESCCCCS(=O)(=O)Nc1ccccc1.CCCCS(=O)(=O)Nc1ccccc1.[nH]1os1
InChIInChI=1S/2C10H15NO2S.HNOS/c2*1-2-3-9-14(12,13)11-10-7-5-4-6-8-10;1-2-3-1/h2*4-8,11H,2-3,9H2,1H3;1H
InChIKeyAGKXORJIKCENIP-UHFFFAOYSA-N
XLogP5.13
TPSA121.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.69
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-benzoylphenyl)butane-1-sulfonamide
CID 21486671
3-bromo-N-phenylpropane-1-sulfonamide
CID 118418114
N-[2-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 113093433
N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide
CID 15040315
N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide
CID 154755711
N-(3-aminophenyl)butane-1-sulfonamide
CID 16778445
4-chloro-N-phenylbutane-1-sulfonamide
CID 116814759
N-(3-methylsulfonylphenyl)butane-1-sulfonamide
CID 110779460
N-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide
CID 112986795
N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide
CID 110606791
N-[4-(3-fluoroanilino)phenyl]butane-1-sulfonamide
CID 112988982
N-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide
CID 112982043

Frequently Asked Questions

What is the IUPAC name of oxathiaziridine;bis(N-phenylbutane-1-sulfonamide)?
The IUPAC name of oxathiaziridine;bis(N-phenylbutane-1-sulfonamide) (CID 175405925) is oxathiaziridine;bis(N-phenylbutane-1-sulfonamide).
What is the SMILES notation for oxathiaziridine;bis(N-phenylbutane-1-sulfonamide)?
The canonical SMILES for oxathiaziridine;bis(N-phenylbutane-1-sulfonamide) is CCCCS(=O)(=O)Nc1ccccc1.CCCCS(=O)(=O)Nc1ccccc1.[nH]1os1.
What is the InChIKey of oxathiaziridine;bis(N-phenylbutane-1-sulfonamide)?
The InChIKey is AGKXORJIKCENIP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15NO2S.HNOS/c2*1-2-3-9-14(12,13)11-10-7-5-4-6-8-10;1-2-3-1/h2*4-8,11H,2-3,9H2,1H3;1H.
What are the key properties of oxathiaziridine;bis(N-phenylbutane-1-sulfonamide)?
oxathiaziridine;bis(N-phenylbutane-1-sulfonamide) has a molecular weight of 489.69 g/mol, XLogP of 5.13, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxathiaziridine;bis(N-phenylbutane-1-sulfonamide) is sourced from PubChem (CID 175405925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).