N-[5-(5-chloro-3-methylindazol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine

C21H25ClN4O3S — CID 71451886

IUPACN-[5-(5-chloro-3-methylindazol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
SMILESCOc1ccc(S(=O)(=O)n2nc(C)c3cc(Cl)ccc32)cc1NC1CCN(C)CC1
InChIInChI=1S/C21H25ClN4O3S/c1-14-18-12-15(22)4-6-20(18)26(24-14)30(27,28)17-5-7-21(29-3)19(13-17)23-16-8-10-25(2)11-9-16/h4-7,12-13,16,23H,8-11H2,1-3H3
InChIKeyHBPLBLIVRSGSGY-UHFFFAOYSA-N
MW448.98 g/mol
LogP3.75
Rot. Bonds5

About N-[5-(5-chloro-3-methylindazol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine

N-[5-(5-chloro-3-methylindazol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine (PubChem CID 71451886) has the molecular formula C21H25ClN4O3S and a molecular weight of 448.98 g/mol. Its IUPAC name is N-[5-(5-chloro-3-methylindazol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[5-(5-chloro-3-methylindazol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
PubChem CID71451886
Molecular FormulaC21H25ClN4O3S
Molecular Weight448.98 g/mol
Exact Mass448.13
IUPAC NameN-[5-(5-chloro-3-methylindazol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
SMILESCOc1ccc(S(=O)(=O)n2nc(C)c3cc(Cl)ccc32)cc1NC1CCN(C)CC1
InChIInChI=1S/C21H25ClN4O3S/c1-14-18-12-15(22)4-6-20(18)26(24-14)30(27,28)17-5-7-21(29-3)19(13-17)23-16-8-10-25(2)11-9-16/h4-7,12-13,16,23H,8-11H2,1-3H3
InChIKeyHBPLBLIVRSGSGY-UHFFFAOYSA-N
XLogP3.75
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.98
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(5-bromo-2-methoxyphenyl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine;hydrochloride
CID 53302892
N-[5-(6-chloroindol-1-yl)sulfonyl-2-ethylphenyl]-1-methylpiperidin-4-amine
CID 71453739
N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride
CID 71462619
3-(cyclopropylamino)-4-methoxybenzenesulfonamide
CID 103439129
N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine
CID 65072787
N-[5-(5-bromoindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine
CID 71455436
N-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methylpyrimidin-4-amine
CID 171336303
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine
CID 112867563
N-[5-(5-bromoindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride
CID 71455435
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylpiperidine-4-carboxamide
CID 99970714
5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline
CID 104870518

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-3-methylindazol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[5-(5-chloro-3-methylindazol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine (CID 71451886) is N-[5-(5-chloro-3-methylindazol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[5-(5-chloro-3-methylindazol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[5-(5-chloro-3-methylindazol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine is COc1ccc(S(=O)(=O)n2nc(C)c3cc(Cl)ccc32)cc1NC1CCN(C)CC1.
What is the InChIKey of N-[5-(5-chloro-3-methylindazol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine?
The InChIKey is HBPLBLIVRSGSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3S/c1-14-18-12-15(22)4-6-20(18)26(24-14)30(27,28)17-5-7-21(29-3)19(13-17)23-16-8-10-25(2)11-9-16/h4-7,12-13,16,23H,8-11H2,1-3H3.
What are the key properties of N-[5-(5-chloro-3-methylindazol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine?
N-[5-(5-chloro-3-methylindazol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine has a molecular weight of 448.98 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-3-methylindazol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 71451886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).