N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C15H12ClF3N6O2S — CID 15985855

IUPACN-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12ClF3N6O2S/c1-25-14(21-23-24-25)7-12-13(6-10(16)8-20-12)22-28(26,27)11-4-2-3-9(5-11)15(17,18)19/h2-6,8,22H,7H2,1H3
InChIKeyKDIVNEAFSBHPJP-UHFFFAOYSA-N
MW432.82 g/mol
LogP2.67
Rot. Bonds5

About N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 15985855) has the molecular formula C15H12ClF3N6O2S and a molecular weight of 432.82 g/mol. Its IUPAC name is N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID15985855
Molecular FormulaC15H12ClF3N6O2S
Molecular Weight432.82 g/mol
Exact Mass432.04
IUPAC NameN-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12ClF3N6O2S/c1-25-14(21-23-24-25)7-12-13(6-10(16)8-20-12)22-28(26,27)11-4-2-3-9(5-11)15(17,18)19/h2-6,8,22H,7H2,1H3
InChIKeyKDIVNEAFSBHPJP-UHFFFAOYSA-N
XLogP2.67
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.82
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 15985855) is N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KDIVNEAFSBHPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N6O2S/c1-25-14(21-23-24-25)7-12-13(6-10(16)8-20-12)22-28(26,27)11-4-2-3-9(5-11)15(17,18)19/h2-6,8,22H,7H2,1H3.
What are the key properties of N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 432.82 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 15985855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).