N-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide

C20H17N7O3S — CID 5045129

IUPACN-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccn3)cc2)ccc1-n1cnnn1
InChIInChI=1S/C20H17N7O3S/c1-14-12-17(9-10-19(14)27-13-22-25-26-27)31(29,30)24-16-7-5-15(6-8-16)23-20(28)18-4-2-3-11-21-18/h2-13,24H,1H3,(H,23,28)
InChIKeyFSFNTAISLGQUOS-UHFFFAOYSA-N
MW435.47 g/mol
LogP2.42
Rot. Bonds6

About N-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide

N-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide (PubChem CID 5045129) has the molecular formula C20H17N7O3S and a molecular weight of 435.47 g/mol. Its IUPAC name is N-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide
PubChem CID5045129
Molecular FormulaC20H17N7O3S
Molecular Weight435.47 g/mol
Exact Mass435.11
IUPAC NameN-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccn3)cc2)ccc1-n1cnnn1
InChIInChI=1S/C20H17N7O3S/c1-14-12-17(9-10-19(14)27-13-22-25-26-27)31(29,30)24-16-7-5-15(6-8-16)23-20(28)18-4-2-3-11-21-18/h2-13,24H,1H3,(H,23,28)
InChIKeyFSFNTAISLGQUOS-UHFFFAOYSA-N
XLogP2.42
TPSA131.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 35548707
N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide
CID 4838891
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35548958
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 19224265
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide
CID 36722972
2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate
CID 7042585
N-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide
CID 43816610
N-[4-[(2,4,6-trimethylphenyl)methylsulfamoyl]phenyl]pyridine-2-carboxamide
CID 45111504
N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 858850
3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide
CID 167927034
N-(4-methoxyphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 27662148
N-[4-(tetrazol-1-yl)phenyl]naphthalene-2-sulfonamide
CID 2467029

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide (CID 5045129) is N-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide is Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccn3)cc2)ccc1-n1cnnn1.
What is the InChIKey of N-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide?
The InChIKey is FSFNTAISLGQUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O3S/c1-14-12-17(9-10-19(14)27-13-22-25-26-27)31(29,30)24-16-7-5-15(6-8-16)23-20(28)18-4-2-3-11-21-18/h2-13,24H,1H3,(H,23,28).
What are the key properties of N-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide?
N-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide has a molecular weight of 435.47 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 5045129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).