N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide

C18H20N6O5S2 — CID 55663261

IUPACN-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCc1nnnn1-c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C18H20N6O5S2/c1-14-19-21-22-24(14)16-4-2-3-15(13-16)20-30(25,26)17-5-7-18(8-6-17)31(27,28)23-9-11-29-12-10-23/h2-8,13,20H,9-12H2,1H3
InChIKeyCDUQQKDNDCMSGF-UHFFFAOYSA-N
MW464.53 g/mol
LogP0.79
Rot. Bonds6

About N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide

N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 55663261) has the molecular formula C18H20N6O5S2 and a molecular weight of 464.53 g/mol. Its IUPAC name is N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID55663261
Molecular FormulaC18H20N6O5S2
Molecular Weight464.53 g/mol
Exact Mass464.09
IUPAC NameN-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCc1nnnn1-c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C18H20N6O5S2/c1-14-19-21-22-24(14)16-4-2-3-15(13-16)20-30(25,26)17-5-7-18(8-6-17)31(27,28)23-9-11-29-12-10-23/h2-8,13,20H,9-12H2,1H3
InChIKeyCDUQQKDNDCMSGF-UHFFFAOYSA-N
XLogP0.79
TPSA136.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55698120
N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 6469836
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 56508356
1-bromo-N-[3-(5-methyltetrazol-1-yl)phenyl]methanesulfonamide
CID 83093455
4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide
CID 3508166
5-chloro-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide
CID 60532054
N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide
CID 17039323
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55677091
N-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 7938577
3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 22203318
N-[4-(azepan-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 25358932
[3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone
CID 56763218

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide (CID 55663261) is N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide is Cc1nnnn1-c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is CDUQQKDNDCMSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O5S2/c1-14-19-21-22-24(14)16-4-2-3-15(13-16)20-30(25,26)17-5-7-18(8-6-17)31(27,28)23-9-11-29-12-10-23/h2-8,13,20H,9-12H2,1H3.
What are the key properties of N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide?
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 464.53 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 55663261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).