N-[[5-chloro-2-[1-(cyclopropylmethyl)-4-methylbenzotriazol-5-yl]oxy-3-pyridinyl]methyl]methanesulfonamide

C18H20ClN5O3S — CID 123407919

IUPACN-[[5-chloro-2-[1-(cyclopropylmethyl)-4-methylbenzotriazol-5-yl]oxy-3-pyridinyl]methyl]methanesulfonamide
SMILESCc1c(Oc2ncc(Cl)cc2CNS(C)(=O)=O)ccc2c1nnn2CC1CC1
InChIInChI=1S/C18H20ClN5O3S/c1-11-16(6-5-15-17(11)22-23-24(15)10-12-3-4-12)27-18-13(7-14(19)9-20-18)8-21-28(2,25)26/h5-7,9,12,21H,3-4,8,10H2,1-2H3
InChIKeyJXJFRLCULDAARX-UHFFFAOYSA-N
MW421.91 g/mol
LogP3.04
Rot. Bonds7

About N-[[5-chloro-2-[1-(cyclopropylmethyl)-4-methylbenzotriazol-5-yl]oxy-3-pyridinyl]methyl]methanesulfonamide

N-[[5-chloro-2-[1-(cyclopropylmethyl)-4-methylbenzotriazol-5-yl]oxy-3-pyridinyl]methyl]methanesulfonamide (PubChem CID 123407919) has the molecular formula C18H20ClN5O3S and a molecular weight of 421.91 g/mol. Its IUPAC name is N-[[5-chloro-2-[1-(cyclopropylmethyl)-4-methylbenzotriazol-5-yl]oxy-3-pyridinyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-chloro-2-[1-(cyclopropylmethyl)-4-methylbenzotriazol-5-yl]oxy-3-pyridinyl]methyl]methanesulfonamide
PubChem CID123407919
Molecular FormulaC18H20ClN5O3S
Molecular Weight421.91 g/mol
Exact Mass421.10
IUPAC NameN-[[5-chloro-2-[1-(cyclopropylmethyl)-4-methylbenzotriazol-5-yl]oxy-3-pyridinyl]methyl]methanesulfonamide
SMILESCc1c(Oc2ncc(Cl)cc2CNS(C)(=O)=O)ccc2c1nnn2CC1CC1
InChIInChI=1S/C18H20ClN5O3S/c1-11-16(6-5-15-17(11)22-23-24(15)10-12-3-4-12)27-18-13(7-14(19)9-20-18)8-21-28(2,25)26/h5-7,9,12,21H,3-4,8,10H2,1-2H3
InChIKeyJXJFRLCULDAARX-UHFFFAOYSA-N
XLogP3.04
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-chloro-2-[1-(cyclopropylmethyl)-4-methylbenzotriazol-5-yl]oxy-3-pyridinyl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[1-(cyclopropylmethyl)-4-methylbenzotriazol-5-yl]oxy-3-pyridinyl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-chloro-2-[1-(cyclopropylmethyl)-4-methylbenzotriazol-5-yl]oxy-3-pyridinyl]methyl]methanesulfonamide (CID 123407919) is N-[[5-chloro-2-[1-(cyclopropylmethyl)-4-methylbenzotriazol-5-yl]oxy-3-pyridinyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-chloro-2-[1-(cyclopropylmethyl)-4-methylbenzotriazol-5-yl]oxy-3-pyridinyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-chloro-2-[1-(cyclopropylmethyl)-4-methylbenzotriazol-5-yl]oxy-3-pyridinyl]methyl]methanesulfonamide is Cc1c(Oc2ncc(Cl)cc2CNS(C)(=O)=O)ccc2c1nnn2CC1CC1.
What is the InChIKey of N-[[5-chloro-2-[1-(cyclopropylmethyl)-4-methylbenzotriazol-5-yl]oxy-3-pyridinyl]methyl]methanesulfonamide?
The InChIKey is JXJFRLCULDAARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O3S/c1-11-16(6-5-15-17(11)22-23-24(15)10-12-3-4-12)27-18-13(7-14(19)9-20-18)8-21-28(2,25)26/h5-7,9,12,21H,3-4,8,10H2,1-2H3.
What are the key properties of N-[[5-chloro-2-[1-(cyclopropylmethyl)-4-methylbenzotriazol-5-yl]oxy-3-pyridinyl]methyl]methanesulfonamide?
N-[[5-chloro-2-[1-(cyclopropylmethyl)-4-methylbenzotriazol-5-yl]oxy-3-pyridinyl]methyl]methanesulfonamide has a molecular weight of 421.91 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[1-(cyclopropylmethyl)-4-methylbenzotriazol-5-yl]oxy-3-pyridinyl]methyl]methanesulfonamide is sourced from PubChem (CID 123407919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).