N-[(4-chlorophenyl)-(5-chloro-1-pyrimidin-2-ylindol-2-yl)methyl]thiophene-2-sulfonamide

C23H16Cl2N4O2S2 — CID 102110589

IUPACN-[(4-chlorophenyl)-(5-chloro-1-pyrimidin-2-ylindol-2-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC(c1ccc(Cl)cc1)c1cc2cc(Cl)ccc2n1-c1ncccn1)c1cccs1
InChIInChI=1S/C23H16Cl2N4O2S2/c24-17-6-4-15(5-7-17)22(28-33(30,31)21-3-1-12-32-21)20-14-16-13-18(25)8-9-19(16)29(20)23-26-10-2-11-27-23/h1-14,22,28H
InChIKeyVOMCBJMSLWADHO-UHFFFAOYSA-N
MW515.45 g/mol
LogP5.86
Rot. Bonds6

About N-[(4-chlorophenyl)-(5-chloro-1-pyrimidin-2-ylindol-2-yl)methyl]thiophene-2-sulfonamide

N-[(4-chlorophenyl)-(5-chloro-1-pyrimidin-2-ylindol-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 102110589) has the molecular formula C23H16Cl2N4O2S2 and a molecular weight of 515.45 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(5-chloro-1-pyrimidin-2-ylindol-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(5-chloro-1-pyrimidin-2-ylindol-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID102110589
Molecular FormulaC23H16Cl2N4O2S2
Molecular Weight515.45 g/mol
Exact Mass514.01
IUPAC NameN-[(4-chlorophenyl)-(5-chloro-1-pyrimidin-2-ylindol-2-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC(c1ccc(Cl)cc1)c1cc2cc(Cl)ccc2n1-c1ncccn1)c1cccs1
InChIInChI=1S/C23H16Cl2N4O2S2/c24-17-6-4-15(5-7-17)22(28-33(30,31)21-3-1-12-32-21)20-14-16-13-18(25)8-9-19(16)29(20)23-26-10-2-11-27-23/h1-14,22,28H
InChIKeyVOMCBJMSLWADHO-UHFFFAOYSA-N
XLogP5.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.45
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 17416898
N-[(R)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 32945038
N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 8815899
N-[(R)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 8815903
N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 51169508
N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide
CID 22201168
N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 119101653
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 42923725
N-[2-(2,4-dichlorophenyl)propan-2-yl]thiophene-2-sulfonamide
CID 110440536
1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 17379420
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 51274932
N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 2405422

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(5-chloro-1-pyrimidin-2-ylindol-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)-(5-chloro-1-pyrimidin-2-ylindol-2-yl)methyl]thiophene-2-sulfonamide (CID 102110589) is N-[(4-chlorophenyl)-(5-chloro-1-pyrimidin-2-ylindol-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(5-chloro-1-pyrimidin-2-ylindol-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)-(5-chloro-1-pyrimidin-2-ylindol-2-yl)methyl]thiophene-2-sulfonamide is O=S(=O)(NC(c1ccc(Cl)cc1)c1cc2cc(Cl)ccc2n1-c1ncccn1)c1cccs1.
What is the InChIKey of N-[(4-chlorophenyl)-(5-chloro-1-pyrimidin-2-ylindol-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is VOMCBJMSLWADHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N4O2S2/c24-17-6-4-15(5-7-17)22(28-33(30,31)21-3-1-12-32-21)20-14-16-13-18(25)8-9-19(16)29(20)23-26-10-2-11-27-23/h1-14,22,28H.
What are the key properties of N-[(4-chlorophenyl)-(5-chloro-1-pyrimidin-2-ylindol-2-yl)methyl]thiophene-2-sulfonamide?
N-[(4-chlorophenyl)-(5-chloro-1-pyrimidin-2-ylindol-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 515.45 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(5-chloro-1-pyrimidin-2-ylindol-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 102110589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).