N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide

C14H21N3O6S2 — CID 163312504

IUPACN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H21N3O6S2/c1-17(2)24(19,20)9-11-7-23-8-13(11)16-14(18)10-3-5-12(6-4-10)25(15,21)22/h3-6,11,13H,7-9H2,1-2H3,(H,16,18)(H2,15,21,22)/t11-,13+/m0/s1
InChIKeyMMDMZBAYRGPVKW-WCQYABFASA-N
MW391.47 g/mol
LogP-1.03
Rot. Bonds6

About N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide (PubChem CID 163312504) has the molecular formula C14H21N3O6S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide
PubChem CID163312504
Molecular FormulaC14H21N3O6S2
Molecular Weight391.47 g/mol
Exact Mass391.09
IUPAC NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H21N3O6S2/c1-17(2)24(19,20)9-11-7-23-8-13(11)16-14(18)10-3-5-12(6-4-10)25(15,21)22/h3-6,11,13H,7-9H2,1-2H3,(H,16,18)(H2,15,21,22)/t11-,13+/m0/s1
InChIKeyMMDMZBAYRGPVKW-WCQYABFASA-N
XLogP-1.03
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide
CID 135089086
4-butyl-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
CID 135108216
3,4-dichloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
CID 135088948
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-fluoro-3-methylbenzamide
CID 135099590
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide
CID 135111757
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1H-indole-5-carboxamide
CID 135107605
6-cyano-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyridine-3-carboxamide
CID 135117318
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxy-2-methylbenzamide
CID 135090735
3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
CID 135110943
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-benzothiazole-6-carboxamide
CID 135098112
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 135120046
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide
CID 135093823

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide?
The IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide (CID 163312504) is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide?
The InChIKey is MMDMZBAYRGPVKW-WCQYABFASA-N. The full InChI is InChI=1S/C14H21N3O6S2/c1-17(2)24(19,20)9-11-7-23-8-13(11)16-14(18)10-3-5-12(6-4-10)25(15,21)22/h3-6,11,13H,7-9H2,1-2H3,(H,16,18)(H2,15,21,22)/t11-,13+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide?
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide has a molecular weight of 391.47 g/mol, XLogP of -1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide is sourced from PubChem (CID 163312504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).