1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]indazole-5-sulfonamide

C18H18F3N5O2S2 — CID 168679146

IUPAC1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]indazole-5-sulfonamide
SMILESO=S(=O)(NC1(CF)CC1)c1ccc2c(c1)c(-c1nnc(C(F)F)s1)nn2CC1CC1
InChIInChI=1S/C18H18F3N5O2S2/c19-9-18(5-6-18)25-30(27,28)11-3-4-13-12(7-11)14(24-26(13)8-10-1-2-10)16-22-23-17(29-16)15(20)21/h3-4,7,10,15,25H,1-2,5-6,8-9H2
InChIKeyFAUMBCQAMBETOA-UHFFFAOYSA-N
MW457.50 g/mol
LogP3.68
Rot. Bonds8

About 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]indazole-5-sulfonamide

1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]indazole-5-sulfonamide (PubChem CID 168679146) has the molecular formula C18H18F3N5O2S2 and a molecular weight of 457.50 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]indazole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]indazole-5-sulfonamide
PubChem CID168679146
Molecular FormulaC18H18F3N5O2S2
Molecular Weight457.50 g/mol
Exact Mass457.09
IUPAC Name1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]indazole-5-sulfonamide
SMILESO=S(=O)(NC1(CF)CC1)c1ccc2c(c1)c(-c1nnc(C(F)F)s1)nn2CC1CC1
InChIInChI=1S/C18H18F3N5O2S2/c19-9-18(5-6-18)25-30(27,28)11-3-4-13-12(7-11)14(24-26(13)8-10-1-2-10)16-22-23-17(29-16)15(20)21/h3-4,7,10,15,25H,1-2,5-6,8-9H2
InChIKeyFAUMBCQAMBETOA-UHFFFAOYSA-N
XLogP3.68
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]indazole-5-sulfonamide?
The IUPAC name of 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]indazole-5-sulfonamide (CID 168679146) is 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]indazole-5-sulfonamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]indazole-5-sulfonamide?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]indazole-5-sulfonamide is O=S(=O)(NC1(CF)CC1)c1ccc2c(c1)c(-c1nnc(C(F)F)s1)nn2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]indazole-5-sulfonamide?
The InChIKey is FAUMBCQAMBETOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2S2/c19-9-18(5-6-18)25-30(27,28)11-3-4-13-12(7-11)14(24-26(13)8-10-1-2-10)16-22-23-17(29-16)15(20)21/h3-4,7,10,15,25H,1-2,5-6,8-9H2.
What are the key properties of 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]indazole-5-sulfonamide?
1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]indazole-5-sulfonamide has a molecular weight of 457.50 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]indazole-5-sulfonamide is sourced from PubChem (CID 168679146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).