(2,6-dichlorophenyl) N-(4,6-dimethoxypyridine-2-carbonyl)sulfamate

C14H12Cl2N2O6S — CID 19778891

IUPAC(2,6-dichlorophenyl) N-(4,6-dimethoxypyridine-2-carbonyl)sulfamate
SMILESCOc1cc(OC)nc(C(=O)NS(=O)(=O)Oc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C14H12Cl2N2O6S/c1-22-8-6-11(17-12(7-8)23-2)14(19)18-25(20,21)24-13-9(15)4-3-5-10(13)16/h3-7H,1-2H3,(H,18,19)
InChIKeyPDBZMLSOUYGZEQ-UHFFFAOYSA-N
MW407.23 g/mol
LogP2.46
Rot. Bonds6

About (2,6-dichlorophenyl) N-(4,6-dimethoxypyridine-2-carbonyl)sulfamate

(2,6-dichlorophenyl) N-(4,6-dimethoxypyridine-2-carbonyl)sulfamate (PubChem CID 19778891) has the molecular formula C14H12Cl2N2O6S and a molecular weight of 407.23 g/mol. Its IUPAC name is (2,6-dichlorophenyl) N-(4,6-dimethoxypyridine-2-carbonyl)sulfamate.

Molecular Properties

Compound Name(2,6-dichlorophenyl) N-(4,6-dimethoxypyridine-2-carbonyl)sulfamate
PubChem CID19778891
Molecular FormulaC14H12Cl2N2O6S
Molecular Weight407.23 g/mol
Exact Mass405.98
IUPAC Name(2,6-dichlorophenyl) N-(4,6-dimethoxypyridine-2-carbonyl)sulfamate
SMILESCOc1cc(OC)nc(C(=O)NS(=O)(=O)Oc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C14H12Cl2N2O6S/c1-22-8-6-11(17-12(7-8)23-2)14(19)18-25(20,21)24-13-9(15)4-3-5-10(13)16/h3-7H,1-2H3,(H,18,19)
InChIKeyPDBZMLSOUYGZEQ-UHFFFAOYSA-N
XLogP2.46
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(2-chlorophenyl)prop-2-enylsulfonyl]-4,6-dimethoxypyridine-2-carboxamide
CID 174335307
6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide
CID 23002405
2-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid
CID 23002380
2-[(4-methoxy-6-methylpyridine-2-carbonyl)sulfamoyl]benzoic acid
CID 23002403
5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide
CID 17101907
1-[2-bromo-6-(4,6-dimethoxypyridine-2-carbonyl)phenyl]-2,2,2-trifluoroethanesulfonamide
CID 174618092
4-methoxy-N-phenyl-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide
CID 15906599
2,6-dichloro-N-(3,5-dimethoxyphenyl)benzamide
CID 891393
dimethyl 8-chloroquinoline-2,4-dicarboxylate
CID 118171241
N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2-carboxamide
CID 110851400
N-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide
CID 67133377
6-chloro-2-[(4,6-dimethoxy-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 139673554

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl) N-(4,6-dimethoxypyridine-2-carbonyl)sulfamate?
The IUPAC name of (2,6-dichlorophenyl) N-(4,6-dimethoxypyridine-2-carbonyl)sulfamate (CID 19778891) is (2,6-dichlorophenyl) N-(4,6-dimethoxypyridine-2-carbonyl)sulfamate.
What is the SMILES notation for (2,6-dichlorophenyl) N-(4,6-dimethoxypyridine-2-carbonyl)sulfamate?
The canonical SMILES for (2,6-dichlorophenyl) N-(4,6-dimethoxypyridine-2-carbonyl)sulfamate is COc1cc(OC)nc(C(=O)NS(=O)(=O)Oc2c(Cl)cccc2Cl)c1.
What is the InChIKey of (2,6-dichlorophenyl) N-(4,6-dimethoxypyridine-2-carbonyl)sulfamate?
The InChIKey is PDBZMLSOUYGZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O6S/c1-22-8-6-11(17-12(7-8)23-2)14(19)18-25(20,21)24-13-9(15)4-3-5-10(13)16/h3-7H,1-2H3,(H,18,19).
What are the key properties of (2,6-dichlorophenyl) N-(4,6-dimethoxypyridine-2-carbonyl)sulfamate?
(2,6-dichlorophenyl) N-(4,6-dimethoxypyridine-2-carbonyl)sulfamate has a molecular weight of 407.23 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl) N-(4,6-dimethoxypyridine-2-carbonyl)sulfamate is sourced from PubChem (CID 19778891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).