3-(benzenesulfonyl)-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride

C18H21ClN4O2S — CID 53320776

IUPAC3-(benzenesulfonyl)-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1)c1[nH]nc2ccc(NC3CCNCC3)cc12
InChIInChI=1S/C18H20N4O2S.ClH/c23-25(24,15-4-2-1-3-5-15)18-16-12-14(6-7-17(16)21-22-18)20-13-8-10-19-11-9-13;/h1-7,12-13,19-20H,8-11H2,(H,21,22);1H
InChIKeyLZSGBFTTXCTBNG-UHFFFAOYSA-N
MW392.91 g/mol
LogP2.98
Rot. Bonds4

About 3-(benzenesulfonyl)-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride

3-(benzenesulfonyl)-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride (PubChem CID 53320776) has the molecular formula C18H21ClN4O2S and a molecular weight of 392.91 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
PubChem CID53320776
Molecular FormulaC18H21ClN4O2S
Molecular Weight392.91 g/mol
Exact Mass392.11
IUPAC Name3-(benzenesulfonyl)-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1)c1[nH]nc2ccc(NC3CCNCC3)cc12
InChIInChI=1S/C18H20N4O2S.ClH/c23-25(24,15-4-2-1-3-5-15)18-16-12-14(6-7-17(16)21-22-18)20-13-8-10-19-11-9-13;/h1-7,12-13,19-20H,8-11H2,(H,21,22);1H
InChIKeyLZSGBFTTXCTBNG-UHFFFAOYSA-N
XLogP2.98
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole
CID 143426591
3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-4-amine;hydrochloride
CID 53319440
N,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide
CID 54906646
N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
CID 43455238
N-(3-phenyl-1H-indazol-5-yl)piperidine-4-sulfonamide
CID 22567034
3-(benzenesulfonyl)-4-chloro-5-piperazin-1-yl-2H-indazole
CID 11740294
N-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide
CID 11566896
N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
CID 66545678
N-(3-methylsulfonylphenyl)pyrrolidin-3-amine
CID 79730618
N-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 167963136
1-phenyl-3-piperidin-4-ylpropane-1,3-dione;hydrochloride
CID 21193151
3-(azepan-4-ylamino)benzoic acid
CID 103980877

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride?
The IUPAC name of 3-(benzenesulfonyl)-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride (CID 53320776) is 3-(benzenesulfonyl)-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride.
What is the SMILES notation for 3-(benzenesulfonyl)-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride?
The canonical SMILES for 3-(benzenesulfonyl)-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride is Cl.O=S(=O)(c1ccccc1)c1[nH]nc2ccc(NC3CCNCC3)cc12.
What is the InChIKey of 3-(benzenesulfonyl)-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride?
The InChIKey is LZSGBFTTXCTBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S.ClH/c23-25(24,15-4-2-1-3-5-15)18-16-12-14(6-7-17(16)21-22-18)20-13-8-10-19-11-9-13;/h1-7,12-13,19-20H,8-11H2,(H,21,22);1H.
What are the key properties of 3-(benzenesulfonyl)-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride?
3-(benzenesulfonyl)-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride has a molecular weight of 392.91 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride is sourced from PubChem (CID 53320776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).