N-(3,5-dichlorophenyl)sulfanyl-1H-indazol-5-amine

C13H9Cl2N3S — CID 88859805

IUPACN-(3,5-dichlorophenyl)sulfanyl-1H-indazol-5-amine
SMILESClc1cc(Cl)cc(SNc2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C13H9Cl2N3S/c14-9-4-10(15)6-12(5-9)19-18-11-1-2-13-8(3-11)7-16-17-13/h1-7,18H,(H,16,17)
InChIKeyGVXMDQQIRWFLNM-UHFFFAOYSA-N
MW310.21 g/mol
LogP4.99
Rot. Bonds3

About N-(3,5-dichlorophenyl)sulfanyl-1H-indazol-5-amine

N-(3,5-dichlorophenyl)sulfanyl-1H-indazol-5-amine (PubChem CID 88859805) has the molecular formula C13H9Cl2N3S and a molecular weight of 310.21 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)sulfanyl-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)sulfanyl-1H-indazol-5-amine
PubChem CID88859805
Molecular FormulaC13H9Cl2N3S
Molecular Weight310.21 g/mol
Exact Mass308.99
IUPAC NameN-(3,5-dichlorophenyl)sulfanyl-1H-indazol-5-amine
SMILESClc1cc(Cl)cc(SNc2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C13H9Cl2N3S/c14-9-4-10(15)6-12(5-9)19-18-11-1-2-13-8(3-11)7-16-17-13/h1-7,18H,(H,16,17)
InChIKeyGVXMDQQIRWFLNM-UHFFFAOYSA-N
XLogP4.99
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine
CID 104854338
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1H-indazol-5-amine
CID 115348820
5-(sulfinoamino)-1H-indazole
CID 68877895
N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine
CID 22060782
N-(2,2,2-trifluoroethyl)-1H-indazol-5-amine
CID 102049744
(E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide
CID 17164818
1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea
CID 150071160
N-(3-methylsulfanylpropyl)-1H-indazol-5-amine
CID 43690828
3-chloro-N-(1H-indazol-5-yl)propanamide
CID 17164503
5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine
CID 166380400

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)sulfanyl-1H-indazol-5-amine?
The IUPAC name of N-(3,5-dichlorophenyl)sulfanyl-1H-indazol-5-amine (CID 88859805) is N-(3,5-dichlorophenyl)sulfanyl-1H-indazol-5-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)sulfanyl-1H-indazol-5-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)sulfanyl-1H-indazol-5-amine is Clc1cc(Cl)cc(SNc2ccc3[nH]ncc3c2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)sulfanyl-1H-indazol-5-amine?
The InChIKey is GVXMDQQIRWFLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3S/c14-9-4-10(15)6-12(5-9)19-18-11-1-2-13-8(3-11)7-16-17-13/h1-7,18H,(H,16,17).
What are the key properties of N-(3,5-dichlorophenyl)sulfanyl-1H-indazol-5-amine?
N-(3,5-dichlorophenyl)sulfanyl-1H-indazol-5-amine has a molecular weight of 310.21 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)sulfanyl-1H-indazol-5-amine is sourced from PubChem (CID 88859805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).