N-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-cyanobenzenesulfonamide

C20H14ClN5O2S — CID 118721260

IUPACN-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-cyanobenzenesulfonamide
SMILESN#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(-c2ccc3c(N)n[nH]c3c2)cc1
InChIInChI=1S/C20H14ClN5O2S/c21-17-2-1-3-19(16(17)11-22)29(27,28)26-14-7-4-12(5-8-14)13-6-9-15-18(10-13)24-25-20(15)23/h1-10,26H,(H3,23,24,25)
InChIKeyLXHSPQDCTKLVDN-UHFFFAOYSA-N
MW423.89 g/mol
LogP4.14
Rot. Bonds4

About N-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-cyanobenzenesulfonamide

N-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-cyanobenzenesulfonamide (PubChem CID 118721260) has the molecular formula C20H14ClN5O2S and a molecular weight of 423.89 g/mol. Its IUPAC name is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-cyanobenzenesulfonamide
PubChem CID118721260
Molecular FormulaC20H14ClN5O2S
Molecular Weight423.89 g/mol
Exact Mass423.06
IUPAC NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-cyanobenzenesulfonamide
SMILESN#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(-c2ccc3c(N)n[nH]c3c2)cc1
InChIInChI=1S/C20H14ClN5O2S/c21-17-2-1-3-19(16(17)11-22)29(27,28)26-14-7-4-12(5-8-14)13-6-9-15-18(10-13)24-25-20(15)23/h1-10,26H,(H3,23,24,25)
InChIKeyLXHSPQDCTKLVDN-UHFFFAOYSA-N
XLogP4.14
TPSA124.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.89
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-cyanobenzenesulfonamide?
The IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-cyanobenzenesulfonamide (CID 118721260) is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-cyanobenzenesulfonamide?
The canonical SMILES for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-cyanobenzenesulfonamide is N#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(-c2ccc3c(N)n[nH]c3c2)cc1.
What is the InChIKey of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-cyanobenzenesulfonamide?
The InChIKey is LXHSPQDCTKLVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5O2S/c21-17-2-1-3-19(16(17)11-22)29(27,28)26-14-7-4-12(5-8-14)13-6-9-15-18(10-13)24-25-20(15)23/h1-10,26H,(H3,23,24,25).
What are the key properties of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-cyanobenzenesulfonamide?
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-cyanobenzenesulfonamide has a molecular weight of 423.89 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-cyanobenzenesulfonamide is sourced from PubChem (CID 118721260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).