N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoro-1H-indole-2-carboxamide

C16H20FN3O4S — CID 135099333

IUPACN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoro-1H-indole-2-carboxamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C16H20FN3O4S/c1-20(2)25(22,23)9-11-7-24-8-15(11)19-16(21)14-6-10-5-12(17)3-4-13(10)18-14/h3-6,11,15,18H,7-9H2,1-2H3,(H,19,21)/t11-,15+/m0/s1
InChIKeyALQVDTNZNDIHRF-XHDPSFHLSA-N
MW369.42 g/mol
LogP0.94
Rot. Bonds5

About N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoro-1H-indole-2-carboxamide

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoro-1H-indole-2-carboxamide (PubChem CID 135099333) has the molecular formula C16H20FN3O4S and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoro-1H-indole-2-carboxamide
PubChem CID135099333
Molecular FormulaC16H20FN3O4S
Molecular Weight369.42 g/mol
Exact Mass369.12
IUPAC NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoro-1H-indole-2-carboxamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C16H20FN3O4S/c1-20(2)25(22,23)9-11-7-24-8-15(11)19-16(21)14-6-10-5-12(17)3-4-13(10)18-14/h3-6,11,15,18H,7-9H2,1-2H3,(H,19,21)/t11-,15+/m0/s1
InChIKeyALQVDTNZNDIHRF-XHDPSFHLSA-N
XLogP0.94
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide
CID 135088303
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzamide
CID 135090773
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4,5-trifluorobenzamide
CID 135094558
2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
CID 135107957
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1H-indole-5-carboxamide
CID 135107605
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide
CID 135093823
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-fluoro-3-methylbenzamide
CID 135099590
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-3-methylbenzamide
CID 135091177
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-6-methoxybenzamide
CID 135091837
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzenesulfonamide
CID 135115370
3,4-dichloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
CID 135088948
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide
CID 135111757

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoro-1H-indole-2-carboxamide (CID 135099333) is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoro-1H-indole-2-carboxamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoro-1H-indole-2-carboxamide?
The InChIKey is ALQVDTNZNDIHRF-XHDPSFHLSA-N. The full InChI is InChI=1S/C16H20FN3O4S/c1-20(2)25(22,23)9-11-7-24-8-15(11)19-16(21)14-6-10-5-12(17)3-4-13(10)18-14/h3-6,11,15,18H,7-9H2,1-2H3,(H,19,21)/t11-,15+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoro-1H-indole-2-carboxamide?
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoro-1H-indole-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 135099333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).