4-(3-amino-7-methyl-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide

C18H22N4O2S — CID 44570477

IUPAC4-(3-amino-7-methyl-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc2c(N)n[nH]c12
InChIInChI=1S/C18H22N4O2S/c1-11-9-13(10-15-16(11)20-21-17(15)19)12-5-7-14(8-6-12)25(23,24)22-18(2,3)4/h5-10,22H,1-4H3,(H3,19,20,21)
InChIKeyDKOFSMUNNKPPDR-UHFFFAOYSA-N
MW358.47 g/mol
LogP3.20
Rot. Bonds3

About 4-(3-amino-7-methyl-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide

4-(3-amino-7-methyl-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide (PubChem CID 44570477) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 4-(3-amino-7-methyl-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-amino-7-methyl-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
PubChem CID44570477
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name4-(3-amino-7-methyl-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc2c(N)n[nH]c12
InChIInChI=1S/C18H22N4O2S/c1-11-9-13(10-15-16(11)20-21-17(15)19)12-5-7-14(8-6-12)25(23,24)22-18(2,3)4/h5-10,22H,1-4H3,(H3,19,20,21)
InChIKeyDKOFSMUNNKPPDR-UHFFFAOYSA-N
XLogP3.20
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-7-methyl-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide?
The IUPAC name of 4-(3-amino-7-methyl-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide (CID 44570477) is 4-(3-amino-7-methyl-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide.
What is the SMILES notation for 4-(3-amino-7-methyl-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide?
The canonical SMILES for 4-(3-amino-7-methyl-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide is Cc1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc2c(N)n[nH]c12.
What is the InChIKey of 4-(3-amino-7-methyl-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide?
The InChIKey is DKOFSMUNNKPPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-11-9-13(10-15-16(11)20-21-17(15)19)12-5-7-14(8-6-12)25(23,24)22-18(2,3)4/h5-10,22H,1-4H3,(H3,19,20,21).
What are the key properties of 4-(3-amino-7-methyl-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide?
4-(3-amino-7-methyl-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide has a molecular weight of 358.47 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-7-methyl-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide is sourced from PubChem (CID 44570477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).