3-[1-[(4-chloro-2,1,3-benzoxadiazol-5-yl)sulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide

C26H22ClN5O4S — CID 59003286

IUPAC3-[1-[(4-chloro-2,1,3-benzoxadiazol-5-yl)sulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)c4ccc5nonc5c4Cl)CC3)c[nH]c12
InChIInChI=1S/C26H22ClN5O4S/c27-23-22(7-6-21-25(23)31-36-30-21)37(34,35)32-10-8-16(9-11-32)20-14-29-24-18(20)12-17(13-19(24)26(28)33)15-4-2-1-3-5-15/h1-7,12-14,16,29H,8-11H2,(H2,28,33)
InChIKeySYELJGQBJCZHGG-UHFFFAOYSA-N
MW536.01 g/mol
LogP4.69
Rot. Bonds5

About 3-[1-[(4-chloro-2,1,3-benzoxadiazol-5-yl)sulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide

3-[1-[(4-chloro-2,1,3-benzoxadiazol-5-yl)sulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (PubChem CID 59003286) has the molecular formula C26H22ClN5O4S and a molecular weight of 536.01 g/mol. Its IUPAC name is 3-[1-[(4-chloro-2,1,3-benzoxadiazol-5-yl)sulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[1-[(4-chloro-2,1,3-benzoxadiazol-5-yl)sulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
PubChem CID59003286
Molecular FormulaC26H22ClN5O4S
Molecular Weight536.01 g/mol
Exact Mass535.11
IUPAC Name3-[1-[(4-chloro-2,1,3-benzoxadiazol-5-yl)sulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)c4ccc5nonc5c4Cl)CC3)c[nH]c12
InChIInChI=1S/C26H22ClN5O4S/c27-23-22(7-6-21-25(23)31-36-30-21)37(34,35)32-10-8-16(9-11-32)20-14-29-24-18(20)12-17(13-19(24)26(28)33)15-4-2-1-3-5-15/h1-7,12-14,16,29H,8-11H2,(H2,28,33)
InChIKeySYELJGQBJCZHGG-UHFFFAOYSA-N
XLogP4.69
TPSA135.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.01
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 69144056
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-(6-methyl-4-propan-2-ylheptyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 143205422
3-[1-[3-(3-hydroxyphenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 68791641
3-[1-[2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 68791098
3-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 11258625
amino-[3-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indol-7-yl]methanol
CID 143079410
5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 11202185
3-[1-[2-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 68791295
5-[3-[(3,3-dimethylbutan-2-ylamino)methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 74830292
5-[4-[(butanoylamino)methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 66722998

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chloro-2,1,3-benzoxadiazol-5-yl)sulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The IUPAC name of 3-[1-[(4-chloro-2,1,3-benzoxadiazol-5-yl)sulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (CID 59003286) is 3-[1-[(4-chloro-2,1,3-benzoxadiazol-5-yl)sulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[1-[(4-chloro-2,1,3-benzoxadiazol-5-yl)sulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[1-[(4-chloro-2,1,3-benzoxadiazol-5-yl)sulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is NC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)c4ccc5nonc5c4Cl)CC3)c[nH]c12.
What is the InChIKey of 3-[1-[(4-chloro-2,1,3-benzoxadiazol-5-yl)sulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The InChIKey is SYELJGQBJCZHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5O4S/c27-23-22(7-6-21-25(23)31-36-30-21)37(34,35)32-10-8-16(9-11-32)20-14-29-24-18(20)12-17(13-19(24)26(28)33)15-4-2-1-3-5-15/h1-7,12-14,16,29H,8-11H2,(H2,28,33).
What are the key properties of 3-[1-[(4-chloro-2,1,3-benzoxadiazol-5-yl)sulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
3-[1-[(4-chloro-2,1,3-benzoxadiazol-5-yl)sulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide has a molecular weight of 536.01 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-chloro-2,1,3-benzoxadiazol-5-yl)sulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is sourced from PubChem (CID 59003286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).