N-cyclopropyl-4-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide

C20H22FN5O4S2 — CID 1469837

IUPACN-cyclopropyl-4-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)cc1
InChIInChI=1S/C20H22FN5O4S2/c21-14-1-8-20-19(13-14)22-24-26(20)16-9-11-25(12-10-16)32(29,30)18-6-4-17(5-7-18)31(27,28)23-15-2-3-15/h1,4-8,13,15-16,23H,2-3,9-12H2
InChIKeyVPTKTGMWHVRVNP-UHFFFAOYSA-N
MW479.56 g/mol
LogP2.04
Rot. Bonds6

About N-cyclopropyl-4-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide

N-cyclopropyl-4-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 1469837) has the molecular formula C20H22FN5O4S2 and a molecular weight of 479.56 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
PubChem CID1469837
Molecular FormulaC20H22FN5O4S2
Molecular Weight479.56 g/mol
Exact Mass479.11
IUPAC NameN-cyclopropyl-4-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)cc1
InChIInChI=1S/C20H22FN5O4S2/c21-14-1-8-20-19(13-14)22-24-26(20)16-9-11-25(12-10-16)32(29,30)18-6-4-17(5-7-18)31(27,28)23-15-2-3-15/h1,4-8,13,15-16,23H,2-3,9-12H2
InChIKeyVPTKTGMWHVRVNP-UHFFFAOYSA-N
XLogP2.04
TPSA114.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole
CID 43814471
5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole
CID 1469807
1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole
CID 1469808
5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
CID 1462299
4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
CID 119959258
5-(trifluoromethyl)-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzotriazole
CID 1469581
N,N-dimethyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide
CID 656159
N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide
CID 119961776
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)benzotriazole
CID 650819
N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide
CID 7130388
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylphenyl]methanone
CID 1469748

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide (CID 1469837) is N-cyclopropyl-4-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is VPTKTGMWHVRVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O4S2/c21-14-1-8-20-19(13-14)22-24-26(20)16-9-11-25(12-10-16)32(29,30)18-6-4-17(5-7-18)31(27,28)23-15-2-3-15/h1,4-8,13,15-16,23H,2-3,9-12H2.
What are the key properties of N-cyclopropyl-4-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide?
N-cyclopropyl-4-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 479.56 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 1469837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).