N-cyclopropyl-4-[[5-[(2,4-difluorophenyl)methyl]tetrazol-1-yl]methyl]benzenesulfonamide

C18H17F2N5O2S — CID 146098808

IUPACN-cyclopropyl-4-[[5-[(2,4-difluorophenyl)methyl]tetrazol-1-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(Cn2nnnc2Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H17F2N5O2S/c19-14-4-3-13(17(20)10-14)9-18-21-23-24-25(18)11-12-1-7-16(8-2-12)28(26,27)22-15-5-6-15/h1-4,7-8,10,15,22H,5-6,9,11H2
InChIKeyIRKRLOWJMUJHFB-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.03
Rot. Bonds7

About N-cyclopropyl-4-[[5-[(2,4-difluorophenyl)methyl]tetrazol-1-yl]methyl]benzenesulfonamide

N-cyclopropyl-4-[[5-[(2,4-difluorophenyl)methyl]tetrazol-1-yl]methyl]benzenesulfonamide (PubChem CID 146098808) has the molecular formula C18H17F2N5O2S and a molecular weight of 405.43 g/mol. Its IUPAC name is N-cyclopropyl-4-[[5-[(2,4-difluorophenyl)methyl]tetrazol-1-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[5-[(2,4-difluorophenyl)methyl]tetrazol-1-yl]methyl]benzenesulfonamide
PubChem CID146098808
Molecular FormulaC18H17F2N5O2S
Molecular Weight405.43 g/mol
Exact Mass405.11
IUPAC NameN-cyclopropyl-4-[[5-[(2,4-difluorophenyl)methyl]tetrazol-1-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(Cn2nnnc2Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H17F2N5O2S/c19-14-4-3-13(17(20)10-14)9-18-21-23-24-25(18)11-12-1-7-16(8-2-12)28(26,27)22-15-5-6-15/h1-4,7-8,10,15,22H,5-6,9,11H2
InChIKeyIRKRLOWJMUJHFB-UHFFFAOYSA-N
XLogP2.03
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[5-[(2,4-difluorophenyl)methyl]tetrazol-1-yl]methyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[[5-[(2,4-difluorophenyl)methyl]tetrazol-1-yl]methyl]benzenesulfonamide (CID 146098808) is N-cyclopropyl-4-[[5-[(2,4-difluorophenyl)methyl]tetrazol-1-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[[5-[(2,4-difluorophenyl)methyl]tetrazol-1-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[[5-[(2,4-difluorophenyl)methyl]tetrazol-1-yl]methyl]benzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(Cn2nnnc2Cc2ccc(F)cc2F)cc1.
What is the InChIKey of N-cyclopropyl-4-[[5-[(2,4-difluorophenyl)methyl]tetrazol-1-yl]methyl]benzenesulfonamide?
The InChIKey is IRKRLOWJMUJHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2S/c19-14-4-3-13(17(20)10-14)9-18-21-23-24-25(18)11-12-1-7-16(8-2-12)28(26,27)22-15-5-6-15/h1-4,7-8,10,15,22H,5-6,9,11H2.
What are the key properties of N-cyclopropyl-4-[[5-[(2,4-difluorophenyl)methyl]tetrazol-1-yl]methyl]benzenesulfonamide?
N-cyclopropyl-4-[[5-[(2,4-difluorophenyl)methyl]tetrazol-1-yl]methyl]benzenesulfonamide has a molecular weight of 405.43 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[5-[(2,4-difluorophenyl)methyl]tetrazol-1-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 146098808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).