amino-[3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indol-7-yl]methanol

C26H25Cl2N3O3S — CID 143079410

IUPACamino-[3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indol-7-yl]methanol
SMILESNC(O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)c[nH]c12
InChIInChI=1S/C26H25Cl2N3O3S/c27-23-7-6-19(14-24(23)28)35(33,34)31-10-8-17(9-11-31)22-15-30-25-20(22)12-18(13-21(25)26(29)32)16-4-2-1-3-5-16/h1-7,12-15,17,26,30,32H,8-11,29H2
InChIKeyYFNLTTRFOPRLCW-UHFFFAOYSA-N
MW530.48 g/mol
LogP5.66
Rot. Bonds5

About amino-[3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indol-7-yl]methanol

amino-[3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indol-7-yl]methanol (PubChem CID 143079410) has the molecular formula C26H25Cl2N3O3S and a molecular weight of 530.48 g/mol. Its IUPAC name is amino-[3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indol-7-yl]methanol.

Molecular Properties

Compound Nameamino-[3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indol-7-yl]methanol
PubChem CID143079410
Molecular FormulaC26H25Cl2N3O3S
Molecular Weight530.48 g/mol
Exact Mass529.10
IUPAC Nameamino-[3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indol-7-yl]methanol
SMILESNC(O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)c[nH]c12
InChIInChI=1S/C26H25Cl2N3O3S/c27-23-7-6-19(14-24(23)28)35(33,34)31-10-8-17(9-11-31)22-15-30-25-20(22)12-18(13-21(25)26(29)32)16-4-2-1-3-5-16/h1-7,12-15,17,26,30,32H,8-11,29H2
InChIKeyYFNLTTRFOPRLCW-UHFFFAOYSA-N
XLogP5.66
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.48
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]-1H-indole
CID 113087788
3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 69144420
3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 69145423
3-[1-[(4-chloro-2,1,3-benzoxadiazol-5-yl)sulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 59003286
3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 69144056
3-[1-(6-methyl-4-propan-2-ylheptyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 143205422
3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 143205438
4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 80672110
1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 24511493
3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole
CID 110711055
5-(3,4-dichlorophenyl)-3-(1,1-dihydroxythian-4-yl)-1H-indole-7-carboxamide
CID 66746128
3-[1-[3-(3-hydroxyphenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 68791641

Frequently Asked Questions

What is the IUPAC name of amino-[3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indol-7-yl]methanol?
The IUPAC name of amino-[3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indol-7-yl]methanol (CID 143079410) is amino-[3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indol-7-yl]methanol.
What is the SMILES notation for amino-[3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indol-7-yl]methanol?
The canonical SMILES for amino-[3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indol-7-yl]methanol is NC(O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)c[nH]c12.
What is the InChIKey of amino-[3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indol-7-yl]methanol?
The InChIKey is YFNLTTRFOPRLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N3O3S/c27-23-7-6-19(14-24(23)28)35(33,34)31-10-8-17(9-11-31)22-15-30-25-20(22)12-18(13-21(25)26(29)32)16-4-2-1-3-5-16/h1-7,12-15,17,26,30,32H,8-11,29H2.
What are the key properties of amino-[3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indol-7-yl]methanol?
amino-[3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indol-7-yl]methanol has a molecular weight of 530.48 g/mol, XLogP of 5.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indol-7-yl]methanol is sourced from PubChem (CID 143079410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).