4-(3-amino-1H-indazol-5-yl)-N-tert-butyl-3-chlorobenzenesulfonamide

C17H19ClN4O2S — CID 25181422

IUPAC4-(3-amino-1H-indazol-5-yl)-N-tert-butyl-3-chlorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3[nH]nc(N)c3c2)c(Cl)c1
InChIInChI=1S/C17H19ClN4O2S/c1-17(2,3)22-25(23,24)11-5-6-12(14(18)9-11)10-4-7-15-13(8-10)16(19)21-20-15/h4-9,22H,1-3H3,(H3,19,20,21)
InChIKeyVSMZYLYGAGOBGV-UHFFFAOYSA-N
MW378.89 g/mol
LogP3.54
Rot. Bonds3

About 4-(3-amino-1H-indazol-5-yl)-N-tert-butyl-3-chlorobenzenesulfonamide

4-(3-amino-1H-indazol-5-yl)-N-tert-butyl-3-chlorobenzenesulfonamide (PubChem CID 25181422) has the molecular formula C17H19ClN4O2S and a molecular weight of 378.89 g/mol. Its IUPAC name is 4-(3-amino-1H-indazol-5-yl)-N-tert-butyl-3-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-(3-amino-1H-indazol-5-yl)-N-tert-butyl-3-chlorobenzenesulfonamide
PubChem CID25181422
Molecular FormulaC17H19ClN4O2S
Molecular Weight378.89 g/mol
Exact Mass378.09
IUPAC Name4-(3-amino-1H-indazol-5-yl)-N-tert-butyl-3-chlorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3[nH]nc(N)c3c2)c(Cl)c1
InChIInChI=1S/C17H19ClN4O2S/c1-17(2,3)22-25(23,24)11-5-6-12(14(18)9-11)10-4-7-15-13(8-10)16(19)21-20-15/h4-9,22H,1-3H3,(H3,19,20,21)
InChIKeyVSMZYLYGAGOBGV-UHFFFAOYSA-N
XLogP3.54
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
CID 24963047
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide
CID 118721271
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-chlorobenzenesulfonamide
CID 118721258
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 118721259
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide
CID 11524857
5-(4-(ethylsulfonyl)phenyl)-1H-indazol-3-amine
CID 11601868
5-(2-chlorophenyl)-1H-indazol-3-amine
CID 44570390
N-[4-(3-Amino-1h-Indazol-5-Yl)phenyl]-3-Chlorobenzenesulfonamide
CID 60196236
4-(3-amino-7-methyl-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
CID 44570477
N-[4-(3-amino-1H-indazol-6-yl)phenyl]benzenesulfonamide
CID 118721257
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-cyanobenzenesulfonamide
CID 118721260
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-cyanobenzenesulfonamide
CID 118721262

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-indazol-5-yl)-N-tert-butyl-3-chlorobenzenesulfonamide?
The IUPAC name of 4-(3-amino-1H-indazol-5-yl)-N-tert-butyl-3-chlorobenzenesulfonamide (CID 25181422) is 4-(3-amino-1H-indazol-5-yl)-N-tert-butyl-3-chlorobenzenesulfonamide.
What is the SMILES notation for 4-(3-amino-1H-indazol-5-yl)-N-tert-butyl-3-chlorobenzenesulfonamide?
The canonical SMILES for 4-(3-amino-1H-indazol-5-yl)-N-tert-butyl-3-chlorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3[nH]nc(N)c3c2)c(Cl)c1.
What is the InChIKey of 4-(3-amino-1H-indazol-5-yl)-N-tert-butyl-3-chlorobenzenesulfonamide?
The InChIKey is VSMZYLYGAGOBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2S/c1-17(2,3)22-25(23,24)11-5-6-12(14(18)9-11)10-4-7-15-13(8-10)16(19)21-20-15/h4-9,22H,1-3H3,(H3,19,20,21).
What are the key properties of 4-(3-amino-1H-indazol-5-yl)-N-tert-butyl-3-chlorobenzenesulfonamide?
4-(3-amino-1H-indazol-5-yl)-N-tert-butyl-3-chlorobenzenesulfonamide has a molecular weight of 378.89 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-indazol-5-yl)-N-tert-butyl-3-chlorobenzenesulfonamide is sourced from PubChem (CID 25181422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).