3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide

C14H11Cl3N6O2S — CID 15604497

IUPAC3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide
SMILESCn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3N6O2S/c1-23-14(19-21-22-23)6-12-13(4-8(15)7-18-12)20-26(24,25)9-2-3-10(16)11(17)5-9/h2-5,7,20H,6H2,1H3
InChIKeyICBWFOBAWJKURO-UHFFFAOYSA-N
MW433.71 g/mol
LogP2.96
Rot. Bonds5

About 3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide

3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide (PubChem CID 15604497) has the molecular formula C14H11Cl3N6O2S and a molecular weight of 433.71 g/mol. Its IUPAC name is 3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide
PubChem CID15604497
Molecular FormulaC14H11Cl3N6O2S
Molecular Weight433.71 g/mol
Exact Mass431.97
IUPAC Name3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide
SMILESCn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3N6O2S/c1-23-14(19-21-22-23)6-12-13(4-8(15)7-18-12)20-26(24,25)9-2-3-10(16)11(17)5-9/h2-5,7,20H,6H2,1H3
InChIKeyICBWFOBAWJKURO-UHFFFAOYSA-N
XLogP2.96
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.71
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-dichloro-N-[3-(1H-tetrazol-1-yl)phenyl]pyridine-3-sulfonamide
CID 7694056
3,4-dichloro-N'-(3-pyrrol-1-yl-2-pyridinyl)benzenesulfonohydrazide
CID 2740727
4-Chloro-N-{2-methyl-[1,2,4]triazolo[1,5-A]pyridin-8-YL}benzene-1-sulfonamide
CID 53190638
4-Chloro-N-{[1,2,4]triazolo[1,5-A]pyridin-8-YL}benzene-1-sulfonamide
CID 53190707
N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 15985855
3,4-dichloro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzenesulfonamide
CID 16615056
3,4-dichloro-N-[5-cyano-2-[(2-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide
CID 15985852
4-chloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide
CID 15985853
N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]-3-cyanobenzenesulfonamide
CID 15985854
3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide
CID 24803291
4-chloro-N-[1-(4-ethyl-5-methoxy-1,2,4-triazol-3-yl)-2-pyridin-2-ylethyl]benzenesulfonamide
CID 24804947
3,4-dichloro-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
CID 58128850

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide (CID 15604497) is 3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide is Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is ICBWFOBAWJKURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N6O2S/c1-23-14(19-21-22-23)6-12-13(4-8(15)7-18-12)20-26(24,25)9-2-3-10(16)11(17)5-9/h2-5,7,20H,6H2,1H3.
What are the key properties of 3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide?
3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 433.71 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 15604497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).