N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide

C19H17ClN2O3S — CID 52782034

IUPACN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1
InChIInChI=1S/C19H17ClN2O3S/c1-14-5-8-17(9-6-14)26(23,24)22-15-7-10-19(18(20)12-15)25-13-16-4-2-3-11-21-16/h2-12,22H,13H2,1H3
InChIKeyQYXNRVZICPPNNQ-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.42
Rot. Bonds6

About N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide (PubChem CID 52782034) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide
PubChem CID52782034
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1
InChIInChI=1S/C19H17ClN2O3S/c1-14-5-8-17(9-6-14)26(23,24)22-15-7-10-19(18(20)12-15)25-13-16-4-2-3-11-21-16/h2-12,22H,13H2,1H3
InChIKeyQYXNRVZICPPNNQ-UHFFFAOYSA-N
XLogP4.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 52781998
N-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide
CID 169370063
4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide
CID 169372850
3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 43069653
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012724
N-[3-[[6-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-4-yl]amino]phenyl]ethenesulfonamide
CID 42602379
4-methyl-N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzenesulfonamide
CID 25044423
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777436
4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CID 169370373

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide (CID 52782034) is N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1.
What is the InChIKey of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is QYXNRVZICPPNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-14-5-8-17(9-6-14)26(23,24)22-15-7-10-19(18(20)12-15)25-13-16-4-2-3-11-21-16/h2-12,22H,13H2,1H3.
What are the key properties of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide?
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 388.88 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 52782034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).