N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,4-difluorobenzenesulfonamide

C16H13F2N5O2S — CID 36590901

IUPACN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C16H13F2N5O2S/c17-11-3-8-15(14(18)9-11)26(24,25)20-12-4-1-10(2-5-12)16-19-21-22-23(16)13-6-7-13/h1-5,8-9,13,20H,6-7H2
InChIKeyLEFIMQKBKGQMEO-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.75
Rot. Bonds5

About N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,4-difluorobenzenesulfonamide

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,4-difluorobenzenesulfonamide (PubChem CID 36590901) has the molecular formula C16H13F2N5O2S and a molecular weight of 377.38 g/mol. Its IUPAC name is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,4-difluorobenzenesulfonamide
PubChem CID36590901
Molecular FormulaC16H13F2N5O2S
Molecular Weight377.38 g/mol
Exact Mass377.08
IUPAC NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C16H13F2N5O2S/c17-11-3-8-15(14(18)9-11)26(24,25)20-12-4-1-10(2-5-12)16-19-21-22-23(16)13-6-7-13/h1-5,8-9,13,20H,6-7H2
InChIKeyLEFIMQKBKGQMEO-UHFFFAOYSA-N
XLogP2.75
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,4-difluorobenzenesulfonamide (CID 36590901) is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,4-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccc(F)cc1F.
What is the InChIKey of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is LEFIMQKBKGQMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O2S/c17-11-3-8-15(14(18)9-11)26(24,25)20-12-4-1-10(2-5-12)16-19-21-22-23(16)13-6-7-13/h1-5,8-9,13,20H,6-7H2.
What are the key properties of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,4-difluorobenzenesulfonamide?
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 377.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 36590901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).