N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide

C19H21FN6O4S2 — CID 56508356

IUPACN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESCc1nnnn1-c1ccc(F)c(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C19H21FN6O4S2/c1-14-21-23-24-26(14)15-5-10-18(20)19(13-15)22-31(27,28)16-6-8-17(9-7-16)32(29,30)25-11-3-2-4-12-25/h5-10,13,22H,2-4,11-12H2,1H3
InChIKeyNLHRCHVRJRQDAY-UHFFFAOYSA-N
MW480.55 g/mol
LogP2.09
Rot. Bonds6

About N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide

N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 56508356) has the molecular formula C19H21FN6O4S2 and a molecular weight of 480.55 g/mol. Its IUPAC name is N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
PubChem CID56508356
Molecular FormulaC19H21FN6O4S2
Molecular Weight480.55 g/mol
Exact Mass480.10
IUPAC NameN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESCc1nnnn1-c1ccc(F)c(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C19H21FN6O4S2/c1-14-21-23-24-26(14)15-5-10-18(20)19(13-15)22-31(27,28)16-6-8-17(9-7-16)32(29,30)25-11-3-2-4-12-25/h5-10,13,22H,2-4,11-12H2,1H3
InChIKeyNLHRCHVRJRQDAY-UHFFFAOYSA-N
XLogP2.09
TPSA127.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-chloro-4-cyano-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide
CID 52886287
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 55663261
N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559756
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 56571773
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55992374
4-(azepan-1-ylsulfonyl)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 1448327
4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361895
N-(2,5-difluorophenyl)-4-(4-ethyltriazol-1-yl)benzenesulfonamide
CID 141437589
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 134034160
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chlorobenzenesulfonamide
CID 19684562
4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide
CID 8759383
1-(2-fluoro-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)thiourea
CID 53364857

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide (CID 56508356) is N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide is Cc1nnnn1-c1ccc(F)c(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is NLHRCHVRJRQDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O4S2/c1-14-21-23-24-26(14)15-5-10-18(20)19(13-15)22-31(27,28)16-6-8-17(9-7-16)32(29,30)25-11-3-2-4-12-25/h5-10,13,22H,2-4,11-12H2,1H3.
What are the key properties of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide?
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 480.55 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 56508356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).