N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanesulfonamide

C23H25N7O2S — CID 15658013

IUPACN-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanesulfonamide
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1NS(C)(=O)=O
InChIInChI=1S/C23H25N7O2S/c1-3-15-30(23-21(9-6-14-24-23)27-33(2,31)32)16-17-10-12-18(13-11-17)19-7-4-5-8-20(19)22-25-28-29-26-22/h4-14,27H,3,15-16H2,1-2H3,(H,25,26,28,29)
InChIKeyVSMVTWJLIXGKTO-UHFFFAOYSA-N
MW463.57 g/mol
LogP3.72
Rot. Bonds9

About N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanesulfonamide

N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanesulfonamide (PubChem CID 15658013) has the molecular formula C23H25N7O2S and a molecular weight of 463.57 g/mol. Its IUPAC name is N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanesulfonamide
PubChem CID15658013
Molecular FormulaC23H25N7O2S
Molecular Weight463.57 g/mol
Exact Mass463.18
IUPAC NameN-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanesulfonamide
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1NS(C)(=O)=O
InChIInChI=1S/C23H25N7O2S/c1-3-15-30(23-21(9-6-14-24-23)27-33(2,31)32)16-17-10-12-18(13-11-17)19-7-4-5-8-20(19)22-25-28-29-26-22/h4-14,27H,3,15-16H2,1-2H3,(H,25,26,28,29)
InChIKeyVSMVTWJLIXGKTO-UHFFFAOYSA-N
XLogP3.72
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.57
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanesulfonamide (CID 15658013) is N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanesulfonamide is CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1NS(C)(=O)=O.
What is the InChIKey of N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanesulfonamide?
The InChIKey is VSMVTWJLIXGKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2S/c1-3-15-30(23-21(9-6-14-24-23)27-33(2,31)32)16-17-10-12-18(13-11-17)19-7-4-5-8-20(19)22-25-28-29-26-22/h4-14,27H,3,15-16H2,1-2H3,(H,25,26,28,29).
What are the key properties of N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanesulfonamide?
N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanesulfonamide has a molecular weight of 463.57 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 15658013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).