1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide

C10H13FN2O4S2 — CID 47358758

IUPAC1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C10H13FN2O4S2/c1-13(7-2-3-7)19(16,17)10-5-4-8(6-9(10)11)18(12,14)15/h4-7H,2-3H2,1H3,(H2,12,14,15)
InChIKeyOCDRSQRDHZGRGB-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.26
Rot. Bonds4

About 1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide

1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide (PubChem CID 47358758) has the molecular formula C10H13FN2O4S2 and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide
PubChem CID47358758
Molecular FormulaC10H13FN2O4S2
Molecular Weight308.36 g/mol
Exact Mass308.03
IUPAC Name1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C10H13FN2O4S2/c1-13(7-2-3-7)19(16,17)10-5-4-8(6-9(10)11)18(12,14)15/h4-7H,2-3H2,1H3,(H2,12,14,15)
InChIKeyOCDRSQRDHZGRGB-UHFFFAOYSA-N
XLogP0.26
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 79179448
2-fluoro-4-sulfamoylbenzenesulfonic acid
CID 174894500
N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 79187108
4-(chloromethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 79177446
3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide
CID 43264692
N-cycloheptyl-2-fluoro-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79178549
3-fluoro-4-[methyl-(4-oxocyclohexyl)amino]benzenesulfonamide
CID 79119967
5-amino-4-bromo-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 116529919
2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 62143938
1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide
CID 61384433
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 79178367
N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 79121895

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide?
The IUPAC name of 1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide (CID 47358758) is 1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide.
What is the SMILES notation for 1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide?
The canonical SMILES for 1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide is CN(C1CC1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide?
The InChIKey is OCDRSQRDHZGRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4S2/c1-13(7-2-3-7)19(16,17)10-5-4-8(6-9(10)11)18(12,14)15/h4-7H,2-3H2,1H3,(H2,12,14,15).
What are the key properties of 1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide?
1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide has a molecular weight of 308.36 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide is sourced from PubChem (CID 47358758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).